(2R,3S)-2-acetamido-3-hydroxybutanoic acid

C6H11NO4 — CID 11062687

IUPAC(2R,3S)-2-acetamido-3-hydroxybutanoic acid
SMILESCC(=O)N[C@@H](C(=O)O)[C@H](C)O
InChIInChI=1S/C6H11NO4/c1-3(8)5(6(10)11)7-4(2)9/h3,5,8H,1-2H3,(H,7,9)(H,10,11)/t3-,5+/m0/s1
InChIKeyPEDXUVCGOLSNLQ-WVZVXSGGSA-N
MW161.16 g/mol
LogP-1.04
Rot. Bonds3

About (2R,3S)-2-acetamido-3-hydroxybutanoic acid

(2R,3S)-2-acetamido-3-hydroxybutanoic acid (PubChem CID 11062687) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is (2R,3S)-2-acetamido-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R,3S)-2-acetamido-3-hydroxybutanoic acid
PubChem CID11062687
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name(2R,3S)-2-acetamido-3-hydroxybutanoic acid
SMILESCC(=O)N[C@@H](C(=O)O)[C@H](C)O
InChIInChI=1S/C6H11NO4/c1-3(8)5(6(10)11)7-4(2)9/h3,5,8H,1-2H3,(H,7,9)(H,10,11)/t3-,5+/m0/s1
InChIKeyPEDXUVCGOLSNLQ-WVZVXSGGSA-N
XLogP-1.04
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-3-hydroxybutanoic acid;2-aminoacetic acid
CID 138543857
2-acetamido-3-hydroxybutanoic acid;3-hydroxy-4-(trimethylazaniumyl)butanoate
CID 155352070
(2S,3R)-3-hydroxy-2-[[(2S)-2-(hydroxyamino)propanoyl]amino]butanoic acid
CID 175946093
(2S)-2-acetamido-3-hydroxy-N-methylbutanamide
CID 130699535
methyl (2R,3R)-2-acetamido-3-hydroxybutanoate
CID 92981459
2-(2-acetamidoethylcarbamoylamino)-3-hydroxybutanoic acid
CID 61202444
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 101151664
(3S)-3-hydroxy-2-(methylamino)butanoic acid
CID 130189259
2-[(4-acetamidophenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 61181993
(2S,3R)-3-hydroxy-2-(methoxycarbonylamino)butanoic acid;methane;sulfane
CID 161287453
(2S)-3-acetamido-2-methylbutanoic acid
CID 87205249
(2S,3R)-3-hydroxy-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid
CID 104964524

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-acetamido-3-hydroxybutanoic acid?
The IUPAC name of (2R,3S)-2-acetamido-3-hydroxybutanoic acid (CID 11062687) is (2R,3S)-2-acetamido-3-hydroxybutanoic acid.
What is the SMILES notation for (2R,3S)-2-acetamido-3-hydroxybutanoic acid?
The canonical SMILES for (2R,3S)-2-acetamido-3-hydroxybutanoic acid is CC(=O)N[C@@H](C(=O)O)[C@H](C)O.
What is the InChIKey of (2R,3S)-2-acetamido-3-hydroxybutanoic acid?
The InChIKey is PEDXUVCGOLSNLQ-WVZVXSGGSA-N. The full InChI is InChI=1S/C6H11NO4/c1-3(8)5(6(10)11)7-4(2)9/h3,5,8H,1-2H3,(H,7,9)(H,10,11)/t3-,5+/m0/s1.
What are the key properties of (2R,3S)-2-acetamido-3-hydroxybutanoic acid?
(2R,3S)-2-acetamido-3-hydroxybutanoic acid has a molecular weight of 161.16 g/mol, XLogP of -1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-acetamido-3-hydroxybutanoic acid is sourced from PubChem (CID 11062687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).