(2-oxo-1H-pyridin-4-yl)methyl (2S)-2-acetamido-4-methylpentanoate

C14H20N2O4 — CID 138056697

IUPAC(2-oxo-1H-pyridin-4-yl)methyl (2S)-2-acetamido-4-methylpentanoate
SMILESCC(=O)N[C@@H](CC(C)C)C(=O)OCc1cc[nH]c(=O)c1
InChIInChI=1S/C14H20N2O4/c1-9(2)6-12(16-10(3)17)14(19)20-8-11-4-5-15-13(18)7-11/h4-5,7,9,12H,6,8H2,1-3H3,(H,15,18)(H,16,17)/t12-/m0/s1
InChIKeyDWESFXCGPUOGBM-LBPRGKRZSA-N
MW280.32 g/mol
LogP0.97
Rot. Bonds6

About (2-oxo-1H-pyridin-4-yl)methyl (2S)-2-acetamido-4-methylpentanoate

(2-oxo-1H-pyridin-4-yl)methyl (2S)-2-acetamido-4-methylpentanoate (PubChem CID 138056697) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is (2-oxo-1H-pyridin-4-yl)methyl (2S)-2-acetamido-4-methylpentanoate.

Molecular Properties

Compound Name(2-oxo-1H-pyridin-4-yl)methyl (2S)-2-acetamido-4-methylpentanoate
PubChem CID138056697
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name(2-oxo-1H-pyridin-4-yl)methyl (2S)-2-acetamido-4-methylpentanoate
SMILESCC(=O)N[C@@H](CC(C)C)C(=O)OCc1cc[nH]c(=O)c1
InChIInChI=1S/C14H20N2O4/c1-9(2)6-12(16-10(3)17)14(19)20-8-11-4-5-15-13(18)7-11/h4-5,7,9,12H,6,8H2,1-3H3,(H,15,18)(H,16,17)/t12-/m0/s1
InChIKeyDWESFXCGPUOGBM-LBPRGKRZSA-N
XLogP0.97
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-(methylamino)-2-oxoethyl]phenyl]methyl 2-acetamido-4-methylpentanoate
CID 58685968
benzyl (2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-4-methylpentanoate
CID 10981319
benzyl (2S)-4-methyl-2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]carbamoylamino]pentanoate
CID 14842513
4-[[[1-(2,4-dimethylpentanoyl)piperidin-4-ylidene]amino]oxymethyl]-1H-pyridin-2-one
CID 143610187
benzyl (2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-methylbutanoate
CID 7409355
ethane;4-(2-oxopropoxymethyl)-1H-pyridin-2-one
CID 142506794
1,2-dimethoxybenzene;methyl 2-acetamido-4-methylpentanoate
CID 174673868
benzyl (2S)-2-[3-(benzenesulfonyl)propanoylamino]-4-methylpentanoate
CID 155703471
benzyl (2R)-4-methyl-2-[[(2R)-2-(methylamino)propanoyl]amino]pentanoate
CID 59779081
benzyl (2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(2-chloroacetyl)oxypropanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoate
CID 59706068
(4-methylphenyl)methyl (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 51340785
benzyl (2S)-4-methyl-2-[(2-oxo-4-phenylbutanoyl)amino]pentanoate
CID 10894222

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1H-pyridin-4-yl)methyl (2S)-2-acetamido-4-methylpentanoate?
The IUPAC name of (2-oxo-1H-pyridin-4-yl)methyl (2S)-2-acetamido-4-methylpentanoate (CID 138056697) is (2-oxo-1H-pyridin-4-yl)methyl (2S)-2-acetamido-4-methylpentanoate.
What is the SMILES notation for (2-oxo-1H-pyridin-4-yl)methyl (2S)-2-acetamido-4-methylpentanoate?
The canonical SMILES for (2-oxo-1H-pyridin-4-yl)methyl (2S)-2-acetamido-4-methylpentanoate is CC(=O)N[C@@H](CC(C)C)C(=O)OCc1cc[nH]c(=O)c1.
What is the InChIKey of (2-oxo-1H-pyridin-4-yl)methyl (2S)-2-acetamido-4-methylpentanoate?
The InChIKey is DWESFXCGPUOGBM-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9(2)6-12(16-10(3)17)14(19)20-8-11-4-5-15-13(18)7-11/h4-5,7,9,12H,6,8H2,1-3H3,(H,15,18)(H,16,17)/t12-/m0/s1.
What are the key properties of (2-oxo-1H-pyridin-4-yl)methyl (2S)-2-acetamido-4-methylpentanoate?
(2-oxo-1H-pyridin-4-yl)methyl (2S)-2-acetamido-4-methylpentanoate has a molecular weight of 280.32 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1H-pyridin-4-yl)methyl (2S)-2-acetamido-4-methylpentanoate is sourced from PubChem (CID 138056697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).