(3R)-3-acetamido-N-methylbutanamide

C7H14N2O2 — CID 87931486

IUPAC(3R)-3-acetamido-N-methylbutanamide
SMILESCNC(=O)C[C@@H](C)NC(C)=O
InChIInChI=1S/C7H14N2O2/c1-5(9-6(2)10)4-7(11)8-3/h5H,4H2,1-3H3,(H,8,11)(H,9,10)/t5-/m1/s1
InChIKeyLGCCARKYQGNJMX-RXMQYKEDSA-N
MW158.20 g/mol
LogP-0.35
Rot. Bonds3

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

(3R)-3-acetamido-N-methylbutanamide (PubChem CID 87931486) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is (3R)-3-acetamido-N-methylbutanamide.

Molecular Properties

Compound Name(3R)-3-acetamido-N-methylbutanamide
PubChem CID87931486
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name(3R)-3-acetamido-N-methylbutanamide
SMILESCNC(=O)C[C@@H](C)NC(C)=O
InChIInChI=1S/C7H14N2O2/c1-5(9-6(2)10)4-7(11)8-3/h5H,4H2,1-3H3,(H,8,11)(H,9,10)/t5-/m1/s1
InChIKeyLGCCARKYQGNJMX-RXMQYKEDSA-N
XLogP-0.35
TPSA58.20 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 ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-acetamido-N-[(2S)-4-[[(2S)-4-[[(2S)-4-[[(2S)-4-[[(2S)-4-(methylamino)-4-oxobutan-2-yl]amino]-4-oxobutan-2-yl]amino]-4-oxobutan-2-yl]amino]-4-oxobutan-2-yl]amino]-4-oxobutan-2-yl]butanamide
CID 101104049
(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-acetamidobutanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanamide
CID 100933689
N-[(2R)-1-(methylamino)propan-2-yl]acetamide
CID 88935703
(5S)-5-acetamido-N-methyl-4-oxohexanamide
CID 118531983
N-(4-hydroxybutan-2-yl)acetamide
CID 20609978
N-(4-bromobutan-2-yl)acetamide
CID 83179388
(3R)-3-amino-N-methylbutanamide;hydrochloride
CID 87931451
N-methyl-3-(4-methylhexan-2-ylamino)butanamide
CID 115892025
(5S)-5-acetamido-N-methyl-4-methylidenehexanamide;propane
CID 144964928
ethane;3-hydroxy-N,5-dimethylhexanamide;vanadium
CID 177155626
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 71361060
3-acetamido-4-methylpentanoic acid
CID 22460001

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-N-methylbutanamide?
The IUPAC name of (3R)-3-acetamido-N-methylbutanamide (CID 87931486) is (3R)-3-acetamido-N-methylbutanamide.
What is the SMILES notation for (3R)-3-acetamido-N-methylbutanamide?
The canonical SMILES for (3R)-3-acetamido-N-methylbutanamide is CNC(=O)C[C@@H](C)NC(C)=O.
What is the InChIKey of (3R)-3-acetamido-N-methylbutanamide?
The InChIKey is LGCCARKYQGNJMX-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-5(9-6(2)10)4-7(11)8-3/h5H,4H2,1-3H3,(H,8,11)(H,9,10)/t5-/m1/s1.
What are the key properties of (3R)-3-acetamido-N-methylbutanamide?
(3R)-3-acetamido-N-methylbutanamide has a molecular weight of 158.20 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-N-methylbutanamide is sourced from PubChem (CID 87931486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).