(3S)-3-amino-4-hydroxy-N-methylbutanamide

C5H12N2O2 — CID 88779987

IUPAC(3S)-3-amino-4-hydroxy-N-methylbutanamide
SMILESCNC(=O)C[C@H](N)CO
InChIInChI=1S/C5H12N2O2/c1-7-5(9)2-4(6)3-8/h4,8H,2-3,6H2,1H3,(H,7,9)/t4-/m0/s1
InChIKeyQZLIUBGMBRYFCI-BYPYZUCNSA-N
MW132.16 g/mol
LogP-1.56
Rot. Bonds3

About (3S)-3-amino-4-hydroxy-N-methylbutanamide

(3S)-3-amino-4-hydroxy-N-methylbutanamide (PubChem CID 88779987) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is (3S)-3-amino-4-hydroxy-N-methylbutanamide.

Molecular Properties

Compound Name(3S)-3-amino-4-hydroxy-N-methylbutanamide
PubChem CID88779987
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name(3S)-3-amino-4-hydroxy-N-methylbutanamide
SMILESCNC(=O)C[C@H](N)CO
InChIInChI=1S/C5H12N2O2/c1-7-5(9)2-4(6)3-8/h4,8H,2-3,6H2,1H3,(H,7,9)/t4-/m0/s1
InChIKeyQZLIUBGMBRYFCI-BYPYZUCNSA-N
XLogP-1.56
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-1.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-4-hydroxy-N-methylbutanamide?
The IUPAC name of (3S)-3-amino-4-hydroxy-N-methylbutanamide (CID 88779987) is (3S)-3-amino-4-hydroxy-N-methylbutanamide.
What is the SMILES notation for (3S)-3-amino-4-hydroxy-N-methylbutanamide?
The canonical SMILES for (3S)-3-amino-4-hydroxy-N-methylbutanamide is CNC(=O)C[C@H](N)CO.
What is the InChIKey of (3S)-3-amino-4-hydroxy-N-methylbutanamide?
The InChIKey is QZLIUBGMBRYFCI-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H12N2O2/c1-7-5(9)2-4(6)3-8/h4,8H,2-3,6H2,1H3,(H,7,9)/t4-/m0/s1.
What are the key properties of (3S)-3-amino-4-hydroxy-N-methylbutanamide?
(3S)-3-amino-4-hydroxy-N-methylbutanamide has a molecular weight of 132.16 g/mol, XLogP of -1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-4-hydroxy-N-methylbutanamide is sourced from PubChem (CID 88779987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).