(2R)-2-acetamido-3-methylbutanamide

C7H14N2O2 — CID 40561650

IUPAC(2R)-2-acetamido-3-methylbutanamide
SMILESCC(=O)N[C@@H](C(N)=O)C(C)C
InChIInChI=1S/C7H14N2O2/c1-4(2)6(7(8)11)9-5(3)10/h4,6H,1-3H3,(H2,8,11)(H,9,10)/t6-/m1/s1
InChIKeyWEHJKQHCMGQEEF-ZCFIWIBFSA-N
MW158.20 g/mol
LogP-0.37
Rot. Bonds3

About (2R)-2-acetamido-3-methylbutanamide

(2R)-2-acetamido-3-methylbutanamide (PubChem CID 40561650) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2R)-2-acetamido-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-3-methylbutanamide
PubChem CID40561650
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name(2R)-2-acetamido-3-methylbutanamide
SMILESCC(=O)N[C@@H](C(N)=O)C(C)C
InChIInChI=1S/C7H14N2O2/c1-4(2)6(7(8)11)9-5(3)10/h4,6H,1-3H3,(H2,8,11)(H,9,10)/t6-/m1/s1
InChIKeyWEHJKQHCMGQEEF-ZCFIWIBFSA-N
XLogP-0.37
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-acetamido-3-methylpentanamide
CID 6950966
(2S,3S)-2-acetamido-N-[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-3-methylpentanamide
CID 101137791
(2S)-3-methyl-2-(propanoylamino)butanamide
CID 90831361
2-(2-aminopropanoylamino)-3-methylbutanamide
CID 22282408
3-methyl-2-(propanoylamino)butanamide
CID 22574980
2-(aminocarbamothioylamino)-3-methylbutanamide
CID 106346207
3-methyl-2-(propan-2-ylcarbamothioylamino)butanamide
CID 106344675
(2S)-3-methyl-2-(methylamino)butanamide;hydrochloride
CID 87874249
3-methyl-2-(sulfanylamino)butanamide
CID 166473642
2-[(2-bromo-2-methylpropanoyl)amino]-3-methylbutanamide
CID 106344655
3-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 106346897
N-[(3S)-2-methyl-4-oxohexan-3-yl]acetamide
CID 89131708

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-methylbutanamide?
The IUPAC name of (2R)-2-acetamido-3-methylbutanamide (CID 40561650) is (2R)-2-acetamido-3-methylbutanamide.
What is the SMILES notation for (2R)-2-acetamido-3-methylbutanamide?
The canonical SMILES for (2R)-2-acetamido-3-methylbutanamide is CC(=O)N[C@@H](C(N)=O)C(C)C.
What is the InChIKey of (2R)-2-acetamido-3-methylbutanamide?
The InChIKey is WEHJKQHCMGQEEF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-4(2)6(7(8)11)9-5(3)10/h4,6H,1-3H3,(H2,8,11)(H,9,10)/t6-/m1/s1.
What are the key properties of (2R)-2-acetamido-3-methylbutanamide?
(2R)-2-acetamido-3-methylbutanamide has a molecular weight of 158.20 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-methylbutanamide is sourced from PubChem (CID 40561650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).