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

C5H12N2O — CID 14367037

IUPAC(2S)-2-amino-2-methylbutanamide
SMILESCC[C@](C)(N)C(N)=O
InChIInChI=1S/C5H12N2O/c1-3-5(2,7)4(6)8/h3,7H2,1-2H3,(H2,6,8)/t5-/m0/s1
InChIKeyYLYOSYIKDVALRB-YFKPBYRVSA-N
MW116.16 g/mol
LogP-0.40
Rot. Bonds2

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

(2S)-2-amino-2-methylbutanamide (PubChem CID 14367037) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is (2S)-2-amino-2-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-2-methylbutanamide
PubChem CID14367037
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name(2S)-2-amino-2-methylbutanamide
SMILESCC[C@](C)(N)C(N)=O
InChIInChI=1S/C5H12N2O/c1-3-5(2,7)4(6)8/h3,7H2,1-2H3,(H2,6,8)/t5-/m0/s1
InChIKeyYLYOSYIKDVALRB-YFKPBYRVSA-N
XLogP-0.40
TPSA69.11 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 ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-methylbutanamide?
The IUPAC name of (2S)-2-amino-2-methylbutanamide (CID 14367037) is (2S)-2-amino-2-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-2-methylbutanamide?
The canonical SMILES for (2S)-2-amino-2-methylbutanamide is CC[C@](C)(N)C(N)=O.
What is the InChIKey of (2S)-2-amino-2-methylbutanamide?
The InChIKey is YLYOSYIKDVALRB-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H12N2O/c1-3-5(2,7)4(6)8/h3,7H2,1-2H3,(H2,6,8)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-2-methylbutanamide?
(2S)-2-amino-2-methylbutanamide has a molecular weight of 116.16 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-methylbutanamide is sourced from PubChem (CID 14367037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).