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

C5H12N2O — CID 10374445

IUPAC(3S)-3-amino-N-methylbutanamide
SMILESCNC(=O)C[C@H](C)N
InChIInChI=1S/C5H12N2O/c1-4(6)3-5(8)7-2/h4H,3,6H2,1-2H3,(H,7,8)/t4-/m0/s1
InChIKeyAMELKRLHOQGFSI-BYPYZUCNSA-N
MW116.16 g/mol
LogP-0.53
Rot. Bonds2

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

(3S)-3-amino-N-methylbutanamide (PubChem CID 10374445) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is (3S)-3-amino-N-methylbutanamide.

Molecular Properties

Compound Name(3S)-3-amino-N-methylbutanamide
PubChem CID10374445
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name(3S)-3-amino-N-methylbutanamide
SMILESCNC(=O)C[C@H](C)N
InChIInChI=1S/C5H12N2O/c1-4(6)3-5(8)7-2/h4H,3,6H2,1-2H3,(H,7,8)/t4-/m0/s1
InChIKeyAMELKRLHOQGFSI-BYPYZUCNSA-N
XLogP-0.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-N-methylbutanamide?
The IUPAC name of (3S)-3-amino-N-methylbutanamide (CID 10374445) is (3S)-3-amino-N-methylbutanamide.
What is the SMILES notation for (3S)-3-amino-N-methylbutanamide?
The canonical SMILES for (3S)-3-amino-N-methylbutanamide is CNC(=O)C[C@H](C)N.
What is the InChIKey of (3S)-3-amino-N-methylbutanamide?
The InChIKey is AMELKRLHOQGFSI-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H12N2O/c1-4(6)3-5(8)7-2/h4H,3,6H2,1-2H3,(H,7,8)/t4-/m0/s1.
What are the key properties of (3S)-3-amino-N-methylbutanamide?
(3S)-3-amino-N-methylbutanamide has a molecular weight of 116.16 g/mol, XLogP of -0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-N-methylbutanamide is sourced from PubChem (CID 10374445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).