(3S)-3-amino-4-hydroxybutanamide

C4H10N2O2 — CID 3082455

IUPAC(3S)-3-amino-4-hydroxybutanamide
SMILESNC(=O)C[C@H](N)CO
InChIInChI=1S/C4H10N2O2/c5-3(2-7)1-4(6)8/h3,7H,1-2,5H2,(H2,6,8)/t3-/m0/s1
InChIKeyQCZJFMXMDLPIAN-VKHMYHEASA-N
MW118.14 g/mol
LogP-1.82
Rot. Bonds3

About (3S)-3-amino-4-hydroxybutanamide

(3S)-3-amino-4-hydroxybutanamide (PubChem CID 3082455) has the molecular formula C4H10N2O2 and a molecular weight of 118.14 g/mol. Its IUPAC name is (3S)-3-amino-4-hydroxybutanamide.

Molecular Properties

Compound Name(3S)-3-amino-4-hydroxybutanamide
PubChem CID3082455
Molecular FormulaC4H10N2O2
Molecular Weight118.14 g/mol
Exact Mass118.07
IUPAC Name(3S)-3-amino-4-hydroxybutanamide
SMILESNC(=O)C[C@H](N)CO
InChIInChI=1S/C4H10N2O2/c5-3(2-7)1-4(6)8/h3,7H,1-2,5H2,(H2,6,8)/t3-/m0/s1
InChIKeyQCZJFMXMDLPIAN-VKHMYHEASA-N
XLogP-1.82
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 5-1.82
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-hydroxybutanamide?
The IUPAC name of (3S)-3-amino-4-hydroxybutanamide (CID 3082455) is (3S)-3-amino-4-hydroxybutanamide.
What is the SMILES notation for (3S)-3-amino-4-hydroxybutanamide?
The canonical SMILES for (3S)-3-amino-4-hydroxybutanamide is NC(=O)C[C@H](N)CO.
What is the InChIKey of (3S)-3-amino-4-hydroxybutanamide?
The InChIKey is QCZJFMXMDLPIAN-VKHMYHEASA-N. The full InChI is InChI=1S/C4H10N2O2/c5-3(2-7)1-4(6)8/h3,7H,1-2,5H2,(H2,6,8)/t3-/m0/s1.
What are the key properties of (3S)-3-amino-4-hydroxybutanamide?
(3S)-3-amino-4-hydroxybutanamide has a molecular weight of 118.14 g/mol, XLogP of -1.82, 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-hydroxybutanamide is sourced from PubChem (CID 3082455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).