benzyl N-[(3S)-4-methyl-2-oxo-1-pyridin-2-ylpentan-3-yl]carbamate

C19H22N2O3 — CID 46702033

IUPACbenzyl N-[(3S)-4-methyl-2-oxo-1-pyridin-2-ylpentan-3-yl]carbamate
SMILESCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Cc1ccccn1
InChIInChI=1S/C19H22N2O3/c1-14(2)18(17(22)12-16-10-6-7-11-20-16)21-19(23)24-13-15-8-4-3-5-9-15/h3-11,14,18H,12-13H2,1-2H3,(H,21,23)/t18-/m0/s1
InChIKeyJXKFXVDGWAIEMS-SFHVURJKSA-N
MW326.40 g/mol
LogP3.14
Rot. Bonds7

About benzyl N-[(3S)-4-methyl-2-oxo-1-pyridin-2-ylpentan-3-yl]carbamate

benzyl N-[(3S)-4-methyl-2-oxo-1-pyridin-2-ylpentan-3-yl]carbamate (PubChem CID 46702033) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is benzyl N-[(3S)-4-methyl-2-oxo-1-pyridin-2-ylpentan-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3S)-4-methyl-2-oxo-1-pyridin-2-ylpentan-3-yl]carbamate
PubChem CID46702033
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Namebenzyl N-[(3S)-4-methyl-2-oxo-1-pyridin-2-ylpentan-3-yl]carbamate
SMILESCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Cc1ccccn1
InChIInChI=1S/C19H22N2O3/c1-14(2)18(17(22)12-16-10-6-7-11-20-16)21-19(23)24-13-15-8-4-3-5-9-15/h3-11,14,18H,12-13H2,1-2H3,(H,21,23)/t18-/m0/s1
InChIKeyJXKFXVDGWAIEMS-SFHVURJKSA-N
XLogP3.14
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(2S)-1-oxo-1-[(2-pyridin-2-ylacetyl)amino]propan-2-yl]carbamate
CID 70392835
methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 12675847
pyridin-4-ylmethyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 90470317
benzyl N-[(2S)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]carbamate
CID 18108915
benzyl N-[(2R)-3-methyl-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]carbamate
CID 51641910
benzyl N-[(2S)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate
CID 70701209
2-(phenylmethoxycarbonylamino)-4-pyridin-2-ylbutanoic acid
CID 103666139
benzyl N-[(2S)-3-methyl-1-[(3-methyl-2-oxobutyl)amino]-1-oxobutan-2-yl]carbamate
CID 167089233
benzyl N-[(2S)-3-methyl-1-oxo-1-[[(2S)-3-oxobutan-2-yl]amino]butan-2-yl]carbamate
CID 70956192
2-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxyethylazanium chloride
CID 129218181
ethyl (5R)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoate
CID 118184137
tert-butyl 5-methyl-3-oxo-4-(phenylmethoxycarbonylamino)hexanoate
CID 21219327

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3S)-4-methyl-2-oxo-1-pyridin-2-ylpentan-3-yl]carbamate?
The IUPAC name of benzyl N-[(3S)-4-methyl-2-oxo-1-pyridin-2-ylpentan-3-yl]carbamate (CID 46702033) is benzyl N-[(3S)-4-methyl-2-oxo-1-pyridin-2-ylpentan-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(3S)-4-methyl-2-oxo-1-pyridin-2-ylpentan-3-yl]carbamate?
The canonical SMILES for benzyl N-[(3S)-4-methyl-2-oxo-1-pyridin-2-ylpentan-3-yl]carbamate is CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Cc1ccccn1.
What is the InChIKey of benzyl N-[(3S)-4-methyl-2-oxo-1-pyridin-2-ylpentan-3-yl]carbamate?
The InChIKey is JXKFXVDGWAIEMS-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14(2)18(17(22)12-16-10-6-7-11-20-16)21-19(23)24-13-15-8-4-3-5-9-15/h3-11,14,18H,12-13H2,1-2H3,(H,21,23)/t18-/m0/s1.
What are the key properties of benzyl N-[(3S)-4-methyl-2-oxo-1-pyridin-2-ylpentan-3-yl]carbamate?
benzyl N-[(3S)-4-methyl-2-oxo-1-pyridin-2-ylpentan-3-yl]carbamate has a molecular weight of 326.40 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3S)-4-methyl-2-oxo-1-pyridin-2-ylpentan-3-yl]carbamate is sourced from PubChem (CID 46702033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).