Cas no 13861-02-4 (3-(2-Amino-2-carboxyethyl)benzoic acid)
13861-02-4 structure
Product Name:3-(2-Amino-2-carboxyethyl)benzoic acid
CAS No:13861-02-4
MF:C10H11NO4
MW:209.198642969131
CID:1254359
PubChem ID:22854522
Update Time:2025-04-20
3-(2-Amino-2-carboxyethyl)benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- L-Phenylalanine, 3-carboxy-
- 3-(2-Amino-2-carboxyethyl)benzoic acid
- 3-carboxy-DL-phenylalanine
- NSC101134
- (S)-3-(2-AMINO-2-CARBOXYETHYL)BENZOIC ACID
- 3-(3-carboxyphenyl) alanine
- 1112AB
- AX8242326
- 2-amino-3-(3-carboxyphenyl)propanoic acid
- 13861-02-4
- CHEMBL4238000
- BDBM50463212
- N14338
- (S)-3-(2-AMINO-2-CARBOXYETHYL)BENZOICACID
- m-Carboxyphenylalanin
- SCHEMBL1061213
-
- Inchi： 1S/C10H11NO4/c11-8(10(14)15)5-6-2-1-3-7(4-6)9(12)13/h1-4,8H,5,11H2,(H,12,13)(H,14,15)/t8-/m0/s1
- InChI Key： JANONUPBHGWOBP-QMMMGPOBSA-N
- SMILES： OC([C@H](CC1C=CC=C(C(=O)O)C=1)N)=O
Computed Properties
- Exact Mass: 209.06883
- Monoisotopic Mass: 209.06880783g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 254
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 101
- XLogP3: -1.9
Experimental Properties
- PSA: 100.62
3-(2-Amino-2-carboxyethyl)benzoic acid Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
13861-02-4 (3-(2-Amino-2-carboxyethyl)benzoic acid) Related Products
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- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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