benzyl N-[(1S)-1-cyclopentyl-2-oxopropyl]-N-methylcarbamate

C17H23NO3 — CID 167560867

IUPACbenzyl N-[(1S)-1-cyclopentyl-2-oxopropyl]-N-methylcarbamate
SMILESCC(=O)[C@H](C1CCCC1)N(C)C(=O)OCc1ccccc1
InChIInChI=1S/C17H23NO3/c1-13(19)16(15-10-6-7-11-15)18(2)17(20)21-12-14-8-4-3-5-9-14/h3-5,8-9,15-16H,6-7,10-12H2,1-2H3/t16-/m1/s1
InChIKeyIVSFNMZAKBXEBI-MRXNPFEDSA-N
MW289.38 g/mol
LogP3.40
Rot. Bonds5

About benzyl N-[(1S)-1-cyclopentyl-2-oxopropyl]-N-methylcarbamate

benzyl N-[(1S)-1-cyclopentyl-2-oxopropyl]-N-methylcarbamate (PubChem CID 167560867) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is benzyl N-[(1S)-1-cyclopentyl-2-oxopropyl]-N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-[(1S)-1-cyclopentyl-2-oxopropyl]-N-methylcarbamate
PubChem CID167560867
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Namebenzyl N-[(1S)-1-cyclopentyl-2-oxopropyl]-N-methylcarbamate
SMILESCC(=O)[C@H](C1CCCC1)N(C)C(=O)OCc1ccccc1
InChIInChI=1S/C17H23NO3/c1-13(19)16(15-10-6-7-11-15)18(2)17(20)21-12-14-8-4-3-5-9-14/h3-5,8-9,15-16H,6-7,10-12H2,1-2H3/t16-/m1/s1
InChIKeyIVSFNMZAKBXEBI-MRXNPFEDSA-N
XLogP3.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-cyclopropyl-2-[methyl(phenylmethoxycarbonyl)amino]acetic acid
CID 171702913
2-[methyl(phenylmethoxycarbonyl)amino]-2-(oxolan-2-yl)acetic acid
CID 82839614
benzyl N-(1-cyclobutylpropan-2-yl)-N-methylcarbamate;formic acid
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2-cyclopentyl-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
CID 22259969
2-cycloheptyl-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
CID 103695913
benzyl N,N-dimethylcarbamate
CID 12963450
(2S,3R)-3-methyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoic acid
CID 14730227
2-(3-methylcyclohexyl)-2-[phenylmethoxycarbonyl(propan-2-yl)amino]acetic acid
CID 103695963
benzyl N-(3,3-dimethylbutan-2-yl)-N-methylcarbamate
CID 130159197
benzyl N-[(3S)-3,4-dihydroxycyclopentyl]-N-methylcarbamate
CID 144529181
ethyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate
CID 59729658
benzyl N-cyclopropyloxy-N-methylcarbamate
CID 169312845

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S)-1-cyclopentyl-2-oxopropyl]-N-methylcarbamate?
The IUPAC name of benzyl N-[(1S)-1-cyclopentyl-2-oxopropyl]-N-methylcarbamate (CID 167560867) is benzyl N-[(1S)-1-cyclopentyl-2-oxopropyl]-N-methylcarbamate.
What is the SMILES notation for benzyl N-[(1S)-1-cyclopentyl-2-oxopropyl]-N-methylcarbamate?
The canonical SMILES for benzyl N-[(1S)-1-cyclopentyl-2-oxopropyl]-N-methylcarbamate is CC(=O)[C@H](C1CCCC1)N(C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1S)-1-cyclopentyl-2-oxopropyl]-N-methylcarbamate?
The InChIKey is IVSFNMZAKBXEBI-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23NO3/c1-13(19)16(15-10-6-7-11-15)18(2)17(20)21-12-14-8-4-3-5-9-14/h3-5,8-9,15-16H,6-7,10-12H2,1-2H3/t16-/m1/s1.
What are the key properties of benzyl N-[(1S)-1-cyclopentyl-2-oxopropyl]-N-methylcarbamate?
benzyl N-[(1S)-1-cyclopentyl-2-oxopropyl]-N-methylcarbamate has a molecular weight of 289.38 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S)-1-cyclopentyl-2-oxopropyl]-N-methylcarbamate is sourced from PubChem (CID 167560867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).