(2S)-4-amino-2-methylbutanamide

C5H12N2O — CID 87412339

IUPAC(2S)-4-amino-2-methylbutanamide
SMILESC[C@@H](CCN)C(N)=O
InChIInChI=1S/C5H12N2O/c1-4(2-3-6)5(7)8/h4H,2-3,6H2,1H3,(H2,7,8)/t4-/m0/s1
InChIKeyPNLOGXOGWOPPEV-BYPYZUCNSA-N
MW116.16 g/mol
LogP-0.54
Rot. Bonds3

About (2S)-4-amino-2-methylbutanamide

(2S)-4-amino-2-methylbutanamide (PubChem CID 87412339) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is (2S)-4-amino-2-methylbutanamide.

Molecular Properties

Compound Name(2S)-4-amino-2-methylbutanamide
PubChem CID87412339
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name(2S)-4-amino-2-methylbutanamide
SMILESC[C@@H](CCN)C(N)=O
InChIInChI=1S/C5H12N2O/c1-4(2-3-6)5(7)8/h4H,2-3,6H2,1H3,(H2,7,8)/t4-/m0/s1
InChIKeyPNLOGXOGWOPPEV-BYPYZUCNSA-N
XLogP-0.54
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-2-methylbutanamide?
The IUPAC name of (2S)-4-amino-2-methylbutanamide (CID 87412339) is (2S)-4-amino-2-methylbutanamide.
What is the SMILES notation for (2S)-4-amino-2-methylbutanamide?
The canonical SMILES for (2S)-4-amino-2-methylbutanamide is C[C@@H](CCN)C(N)=O.
What is the InChIKey of (2S)-4-amino-2-methylbutanamide?
The InChIKey is PNLOGXOGWOPPEV-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H12N2O/c1-4(2-3-6)5(7)8/h4H,2-3,6H2,1H3,(H2,7,8)/t4-/m0/s1.
What are the key properties of (2S)-4-amino-2-methylbutanamide?
(2S)-4-amino-2-methylbutanamide has a molecular weight of 116.16 g/mol, XLogP of -0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-2-methylbutanamide is sourced from PubChem (CID 87412339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).