(2S)-3-methyl-2-(methylamino)butanamide

C6H14N2O — CID 5288822

IUPAC(2S)-3-methyl-2-(methylamino)butanamide
SMILESCN[C@H](C(N)=O)C(C)C
InChIInChI=1S/C6H14N2O/c1-4(2)5(8-3)6(7)9/h4-5,8H,1-3H3,(H2,7,9)/t5-/m0/s1
InChIKeyDACXAEBOHWZDAM-YFKPBYRVSA-N
MW130.19 g/mol
LogP-0.28
Rot. Bonds3

About (2S)-3-methyl-2-(methylamino)butanamide

(2S)-3-methyl-2-(methylamino)butanamide (PubChem CID 5288822) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is (2S)-3-methyl-2-(methylamino)butanamide.

Molecular Properties

Compound Name(2S)-3-methyl-2-(methylamino)butanamide
PubChem CID5288822
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name(2S)-3-methyl-2-(methylamino)butanamide
SMILESCN[C@H](C(N)=O)C(C)C
InChIInChI=1S/C6H14N2O/c1-4(2)5(8-3)6(7)9/h4-5,8H,1-3H3,(H2,7,9)/t5-/m0/s1
InChIKeyDACXAEBOHWZDAM-YFKPBYRVSA-N
XLogP-0.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(methylamino)butanamide?
The IUPAC name of (2S)-3-methyl-2-(methylamino)butanamide (CID 5288822) is (2S)-3-methyl-2-(methylamino)butanamide.
What is the SMILES notation for (2S)-3-methyl-2-(methylamino)butanamide?
The canonical SMILES for (2S)-3-methyl-2-(methylamino)butanamide is CN[C@H](C(N)=O)C(C)C.
What is the InChIKey of (2S)-3-methyl-2-(methylamino)butanamide?
The InChIKey is DACXAEBOHWZDAM-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H14N2O/c1-4(2)5(8-3)6(7)9/h4-5,8H,1-3H3,(H2,7,9)/t5-/m0/s1.
What are the key properties of (2S)-3-methyl-2-(methylamino)butanamide?
(2S)-3-methyl-2-(methylamino)butanamide has a molecular weight of 130.19 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-(methylamino)butanamide is sourced from PubChem (CID 5288822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).