(2S,3R)-2-(carbamoylamino)-3-hydroxybutanoate

C5H9N2O4- — CID 7023135

IUPAC(2S,3R)-2-(carbamoylamino)-3-hydroxybutanoate
SMILESC[C@@H](O)[C@H](NC(N)=O)C(=O)[O-]
InChIInChI=1S/C5H10N2O4/c1-2(8)3(4(9)10)7-5(6)11/h2-3,8H,1H3,(H,9,10)(H3,6,7,11)/p-1/t2-,3+/m1/s1
InChIKeyJDNXAWFLEXAACH-GBXIJSLDSA-M
MW161.14 g/mol
LogP-2.85
Rot. Bonds3

About (2S,3R)-2-(carbamoylamino)-3-hydroxybutanoate

(2S,3R)-2-(carbamoylamino)-3-hydroxybutanoate (PubChem CID 7023135) has the molecular formula C5H9N2O4- and a molecular weight of 161.14 g/mol. Its IUPAC name is (2S,3R)-2-(carbamoylamino)-3-hydroxybutanoate.

Molecular Properties

Compound Name(2S,3R)-2-(carbamoylamino)-3-hydroxybutanoate
PubChem CID7023135
Molecular FormulaC5H9N2O4-
Molecular Weight161.14 g/mol
Exact Mass161.06
IUPAC Name(2S,3R)-2-(carbamoylamino)-3-hydroxybutanoate
SMILESC[C@@H](O)[C@H](NC(N)=O)C(=O)[O-]
InChIInChI=1S/C5H10N2O4/c1-2(8)3(4(9)10)7-5(6)11/h2-3,8H,1H3,(H,9,10)(H3,6,7,11)/p-1/t2-,3+/m1/s1
InChIKeyJDNXAWFLEXAACH-GBXIJSLDSA-M
XLogP-2.85
TPSA115.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.14
LogP ≤ 5-2.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

cesium 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 87920058
[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamic acid
CID 118589539
[(2S)-1-hydrazinyl-3-methyl-1-oxobutan-2-yl]urea
CID 91973991
(2S)-2-azaniumyl-2-(carbamoylamino)acetate
CID 46173475
copper bis((2S,3R)-3-hydroxy-2-(2-oxoethylamino)butanoate)
CID 88693916
azanium;tris(2-hydroxypropanoate);manganese(2+)
CID 158994016
bis(2-hydroxypropanoate);manganese(2+);hydrate
CID 161275678
(2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxybutanoate
CID 2325636
[1-(carbamoylamino)-2-methylpropyl]urea
CID 22478
(2S,3R)-3-hydroxy-2-(iodoamino)butanamide
CID 89200284
2-amino-N-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]acetamide
CID 155415665
(2S,3S)-3-hydroxy-2-[[2-(1H-indol-3-yl)acetyl]amino]butanoate
CID 7678364

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(carbamoylamino)-3-hydroxybutanoate?
The IUPAC name of (2S,3R)-2-(carbamoylamino)-3-hydroxybutanoate (CID 7023135) is (2S,3R)-2-(carbamoylamino)-3-hydroxybutanoate.
What is the SMILES notation for (2S,3R)-2-(carbamoylamino)-3-hydroxybutanoate?
The canonical SMILES for (2S,3R)-2-(carbamoylamino)-3-hydroxybutanoate is C[C@@H](O)[C@H](NC(N)=O)C(=O)[O-].
What is the InChIKey of (2S,3R)-2-(carbamoylamino)-3-hydroxybutanoate?
The InChIKey is JDNXAWFLEXAACH-GBXIJSLDSA-M. The full InChI is InChI=1S/C5H10N2O4/c1-2(8)3(4(9)10)7-5(6)11/h2-3,8H,1H3,(H,9,10)(H3,6,7,11)/p-1/t2-,3+/m1/s1.
What are the key properties of (2S,3R)-2-(carbamoylamino)-3-hydroxybutanoate?
(2S,3R)-2-(carbamoylamino)-3-hydroxybutanoate has a molecular weight of 161.14 g/mol, XLogP of -2.85, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(carbamoylamino)-3-hydroxybutanoate is sourced from PubChem (CID 7023135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).