[(1S,3R)-3-(4-methoxyphenyl)cyclopentyl]methyl carbamate

C14H19NO3 — CID 143710570

IUPAC[(1S,3R)-3-(4-methoxyphenyl)cyclopentyl]methyl carbamate
SMILESCOc1ccc([C@@H]2CC[C@H](COC(N)=O)C2)cc1
InChIInChI=1S/C14H19NO3/c1-17-13-6-4-11(5-7-13)12-3-2-10(8-12)9-18-14(15)16/h4-7,10,12H,2-3,8-9H2,1H3,(H2,15,16)/t10-,12+/m0/s1
InChIKeyIPUNUZMISVKKHN-CMPLNLGQSA-N
MW249.31 g/mol
LogP2.67
Rot. Bonds4

About [(1S,3R)-3-(4-methoxyphenyl)cyclopentyl]methyl carbamate

[(1S,3R)-3-(4-methoxyphenyl)cyclopentyl]methyl carbamate (PubChem CID 143710570) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is [(1S,3R)-3-(4-methoxyphenyl)cyclopentyl]methyl carbamate.

Molecular Properties

Compound Name[(1S,3R)-3-(4-methoxyphenyl)cyclopentyl]methyl carbamate
PubChem CID143710570
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name[(1S,3R)-3-(4-methoxyphenyl)cyclopentyl]methyl carbamate
SMILESCOc1ccc([C@@H]2CC[C@H](COC(N)=O)C2)cc1
InChIInChI=1S/C14H19NO3/c1-17-13-6-4-11(5-7-13)12-3-2-10(8-12)9-18-14(15)16/h4-7,10,12H,2-3,8-9H2,1H3,(H2,15,16)/t10-,12+/m0/s1
InChIKeyIPUNUZMISVKKHN-CMPLNLGQSA-N
XLogP2.67
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-methoxy-3-methylphenyl)cyclopentyl]methyl carbamate
CID 143710477
2-[4-(4-methoxyphenyl)cyclohexyl]ethanol
CID 121318753
[3-[4-[3-(4-methoxyphenyl)propoxy]phenyl]cyclopentyl]methyl dihydrogen phosphate
CID 143710411
N-benzyl-1-[3-(4-methoxyphenyl)cyclopentyl]methanamine;hydrochloride
CID 18784188
1-(3-ethylcyclobutyl)-4-methoxybenzene
CID 166481315
3-(4-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 67514282
[(1S)-3-[(6S)-6-[(E)-hex-2-enoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methyl carbamate
CID 145021507
2-[3-(3,4-dimethoxyphenyl)cyclopentyl]acetic acid
CID 82303682
2-cyclohexyl-2-[4-(4-methoxyphenyl)cyclohexyl]acetamide
CID 142798976
2-[[3-(4-methoxyphenyl)cyclobutyl]amino]ethylurea
CID 83109435
[4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl]methyl 2-methylprop-2-enoate
CID 118458159
[4-[4-(4,4-dimethylcyclohexyl)anilino]cyclohexyl]methyl carbamate
CID 175562214

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-(4-methoxyphenyl)cyclopentyl]methyl carbamate?
The IUPAC name of [(1S,3R)-3-(4-methoxyphenyl)cyclopentyl]methyl carbamate (CID 143710570) is [(1S,3R)-3-(4-methoxyphenyl)cyclopentyl]methyl carbamate.
What is the SMILES notation for [(1S,3R)-3-(4-methoxyphenyl)cyclopentyl]methyl carbamate?
The canonical SMILES for [(1S,3R)-3-(4-methoxyphenyl)cyclopentyl]methyl carbamate is COc1ccc([C@@H]2CC[C@H](COC(N)=O)C2)cc1.
What is the InChIKey of [(1S,3R)-3-(4-methoxyphenyl)cyclopentyl]methyl carbamate?
The InChIKey is IPUNUZMISVKKHN-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-13-6-4-11(5-7-13)12-3-2-10(8-12)9-18-14(15)16/h4-7,10,12H,2-3,8-9H2,1H3,(H2,15,16)/t10-,12+/m0/s1.
What are the key properties of [(1S,3R)-3-(4-methoxyphenyl)cyclopentyl]methyl carbamate?
[(1S,3R)-3-(4-methoxyphenyl)cyclopentyl]methyl carbamate has a molecular weight of 249.31 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-(4-methoxyphenyl)cyclopentyl]methyl carbamate is sourced from PubChem (CID 143710570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).