Cas no 53459-31-7 (2-amino-3-(carbamoylamino)oxypropanoic Acid)
53459-31-7 structure
Product Name:2-amino-3-(carbamoylamino)oxypropanoic Acid
CAS No:53459-31-7
MF:C4H9N3O4
MW:163.131960630417
CID:938567
PubChem ID:185742
Update Time:2025-04-19
2-amino-3-(carbamoylamino)oxypropanoic Acid Chemical and Physical Properties
Names and Identifiers
-
- 2-amino-3-(carbamoylamino)oxypropanoic Acid
- NSC 163539
- (2R)-2-Amino-3-[(carbamoylamino)oxy]propanoate
- C20651
- 53459-31-7
- (2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid
- O-ureido-D-serine
- CHEBI:74212
- o-(carbamoylamino)-d-serine
- DTXSID401300106
- O-[(Aminocarbonyl)amino]-D-serine
- Q27144525
-
- Inchi: 1S/C4H9N3O4/c5-2(3(8)9)1-11-7-4(6)10/h2H,1,5H2,(H,8,9)(H3,6,7,10)/t2-/m1/s1
- InChI Key: ZFLDWYJOQSXISF-UWTATZPHSA-N
- SMILES: O(C[C@H](C(=O)O)N)NC(N)=O
Computed Properties
- Exact Mass: 163.05937
- Monoisotopic Mass: 163.059
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 159
- 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
- XLogP3: -4.6
- Topological Polar Surface Area: 128?2
Experimental Properties
- Density: 1.493
- Refractive Index: 1.545
- PSA: 127.67
- LogP: -0.21030
2-amino-3-(carbamoylamino)oxypropanoic Acid Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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