[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamic acid

C5H10N2O4 — CID 118589539

IUPAC[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamic acid
SMILESC[C@@H](O)[C@H](NC(=O)O)C(N)=O
InChIInChI=1S/C5H10N2O4/c1-2(8)3(4(6)9)7-5(10)11/h2-3,7-8H,1H3,(H2,6,9)(H,10,11)/t2-,3+/m1/s1
InChIKeyKNHBWAWATFCELA-GBXIJSLDSA-N
MW162.14 g/mol
LogP-1.51
Rot. Bonds3

About [(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamic acid

[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamic acid (PubChem CID 118589539) has the molecular formula C5H10N2O4 and a molecular weight of 162.14 g/mol. Its IUPAC name is [(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamic acid
PubChem CID118589539
Molecular FormulaC5H10N2O4
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC Name[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamic acid
SMILESC[C@@H](O)[C@H](NC(=O)O)C(N)=O
InChIInChI=1S/C5H10N2O4/c1-2(8)3(4(6)9)7-5(10)11/h2-3,7-8H,1H3,(H2,6,9)(H,10,11)/t2-,3+/m1/s1
InChIKeyKNHBWAWATFCELA-GBXIJSLDSA-N
XLogP-1.51
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-1.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-3-hydroxy-2-(iodoamino)butanamide
CID 89200284
[(2R)-1-amino-1-oxopropan-2-yl]carbamic acid
CID 66814352
2-[(2-amino-3-tert-butylsulfanylpropanoyl)amino]-3-hydroxybutanamide
CID 3259172
(3S)-4-[[(2R,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-oxobutanoic acid
CID 167012827
2-(carboxyamino)-3-methylpentanoic acid
CID 19101858
(2S,3R)-2-(carbamoylamino)-3-hydroxybutanoate
CID 7023135
3-methyl-2-(sulfanylamino)butanamide
CID 166473642
[(2S,3R)-1-[(3R)-3-[(2R)-2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamic acid
CID 130238026
(2R)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3-sulfanylbutanamide
CID 175870546
2-amino-N-[1-[(1-amino-3-hydroxy-1-oxobutan-2-yl)amino]-1-oxo-3-sulfanylpropan-2-yl]-3-methylbutanamide
CID 174671136
(2R,3S)-2-acetamido-3-hydroxybutanoic acid
CID 11062687
(2R)-2-acetamido-3-methylbutanamide
CID 40561650

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamic acid?
The IUPAC name of [(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamic acid (CID 118589539) is [(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamic acid.
What is the SMILES notation for [(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamic acid?
The canonical SMILES for [(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamic acid is C[C@@H](O)[C@H](NC(=O)O)C(N)=O.
What is the InChIKey of [(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamic acid?
The InChIKey is KNHBWAWATFCELA-GBXIJSLDSA-N. The full InChI is InChI=1S/C5H10N2O4/c1-2(8)3(4(6)9)7-5(10)11/h2-3,7-8H,1H3,(H2,6,9)(H,10,11)/t2-,3+/m1/s1.
What are the key properties of [(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamic acid?
[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamic acid has a molecular weight of 162.14 g/mol, XLogP of -1.51, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamic acid is sourced from PubChem (CID 118589539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).