benzyl N-[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamate

C16H22N2O3 — CID 42885017

IUPACbenzyl N-[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OCc1ccccc1)C(=O)NC1CCCC1
InChIInChI=1S/C16H22N2O3/c1-12(15(19)18-14-9-5-6-10-14)17-16(20)21-11-13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H,17,20)(H,18,19)
InChIKeyDOPBCOWVHMRKRL-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.36
Rot. Bonds5

About benzyl N-[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamate

benzyl N-[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamate (PubChem CID 42885017) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is benzyl N-[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamate
PubChem CID42885017
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namebenzyl N-[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OCc1ccccc1)C(=O)NC1CCCC1
InChIInChI=1S/C16H22N2O3/c1-12(15(19)18-14-9-5-6-10-14)17-16(20)21-11-13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H,17,20)(H,18,19)
InChIKeyDOPBCOWVHMRKRL-UHFFFAOYSA-N
XLogP2.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]carbamate
CID 18108659
benzyl N-[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]carbamate
CID 39958646
benzyl N-[(2S)-1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate
CID 18106493
benzyl N-[(2S)-1-oxo-1-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]carbamate
CID 51887853
benzyl N-[1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]carbamate
CID 51159515
benzyl N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]carbamate
CID 97267835
benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564
benzyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 59895800
cyclopentyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 171836039
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-[(2S)-1-oxo-1-(1-phenylethylamino)propan-2-yl]carbamate
CID 18108336
1-cyclopropylethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 130300909

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamate?
The IUPAC name of benzyl N-[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamate (CID 42885017) is benzyl N-[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamate is CC(NC(=O)OCc1ccccc1)C(=O)NC1CCCC1.
What is the InChIKey of benzyl N-[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamate?
The InChIKey is DOPBCOWVHMRKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12(15(19)18-14-9-5-6-10-14)17-16(20)21-11-13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H,17,20)(H,18,19).
What are the key properties of benzyl N-[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamate?
benzyl N-[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamate has a molecular weight of 290.36 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 42885017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).