(3S)-3-hydroxy-2-(methylamino)butanoic acid

C5H11NO3 — CID 130189259

IUPAC(3S)-3-hydroxy-2-(methylamino)butanoic acid
SMILESCNC(C(=O)O)[C@H](C)O
InChIInChI=1S/C5H11NO3/c1-3(7)4(6-2)5(8)9/h3-4,6-7H,1-2H3,(H,8,9)/t3-,4?/m0/s1
InChIKeyCCAIIPMIAFGKSI-WUCPZUCCSA-N
MW133.15 g/mol
LogP-0.96
Rot. Bonds3

About (3S)-3-hydroxy-2-(methylamino)butanoic acid

(3S)-3-hydroxy-2-(methylamino)butanoic acid (PubChem CID 130189259) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is (3S)-3-hydroxy-2-(methylamino)butanoic acid.

Molecular Properties

Compound Name(3S)-3-hydroxy-2-(methylamino)butanoic acid
PubChem CID130189259
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name(3S)-3-hydroxy-2-(methylamino)butanoic acid
SMILESCNC(C(=O)O)[C@H](C)O
InChIInChI=1S/C5H11NO3/c1-3(7)4(6-2)5(8)9/h3-4,6-7H,1-2H3,(H,8,9)/t3-,4?/m0/s1
InChIKeyCCAIIPMIAFGKSI-WUCPZUCCSA-N
XLogP-0.96
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-2-hydroxy-3-(methylamino)butanedioic acid
CID 170652608
(2S)-3-methyl-2-(methylamino)butanoic acid
CID 161459292
3-methyl-2-(methylamino)butanoic acid
CID 4378
(3S)-2-hydroxy-3-(methylamino)butanedioic acid;hydrochloride
CID 88679136
4-hydroxy-3-(methylamino)pentan-2-one
CID 22981507
3,4-dimethyl-2-(methylamino)pentanoic acid
CID 15385160
(2S,3R)-2-(benzylamino)-3-hydroxybutanoic acid;(2S,3R)-3-hydroxy-2-(methylamino)butanoic acid
CID 158563738
methyl (2S,3R)-3-hydroxy-2-(methylamino)butanoate
CID 11615188
(2S,3R)-3-hydroxy-N,N-dimethyl-2-(methylamino)butanamide
CID 163858053
(2R,3S)-2-acetamido-3-hydroxybutanoic acid
CID 11062687
(2R)-3,3-difluoro-2-(methylamino)propanoic acid
CID 150436276
(2S,3R)-3-hydroxy-2-(hydroxymethylamino)butanoic acid
CID 54383324

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-2-(methylamino)butanoic acid?
The IUPAC name of (3S)-3-hydroxy-2-(methylamino)butanoic acid (CID 130189259) is (3S)-3-hydroxy-2-(methylamino)butanoic acid.
What is the SMILES notation for (3S)-3-hydroxy-2-(methylamino)butanoic acid?
The canonical SMILES for (3S)-3-hydroxy-2-(methylamino)butanoic acid is CNC(C(=O)O)[C@H](C)O.
What is the InChIKey of (3S)-3-hydroxy-2-(methylamino)butanoic acid?
The InChIKey is CCAIIPMIAFGKSI-WUCPZUCCSA-N. The full InChI is InChI=1S/C5H11NO3/c1-3(7)4(6-2)5(8)9/h3-4,6-7H,1-2H3,(H,8,9)/t3-,4?/m0/s1.
What are the key properties of (3S)-3-hydroxy-2-(methylamino)butanoic acid?
(3S)-3-hydroxy-2-(methylamino)butanoic acid has a molecular weight of 133.15 g/mol, XLogP of -0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-2-(methylamino)butanoic acid is sourced from PubChem (CID 130189259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).