3-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide

C15H22N2O2 — CID 81387626

IUPAC3-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
SMILESCOc1ccccc1[C@H](C)NC(=O)C1CCC(N)C1
InChIInChI=1S/C15H22N2O2/c1-10(13-5-3-4-6-14(13)19-2)17-15(18)11-7-8-12(16)9-11/h3-6,10-12H,7-9,16H2,1-2H3,(H,17,18)/t10-,11?,12?/m0/s1
InChIKeyXJQGFCCAILFSEU-UNXYVOJBSA-N
MW262.35 g/mol
LogP2.00
Rot. Bonds4

About 3-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide

3-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide (PubChem CID 81387626) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
PubChem CID81387626
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
SMILESCOc1ccccc1[C@H](C)NC(=O)C1CCC(N)C1
InChIInChI=1S/C15H22N2O2/c1-10(13-5-3-4-6-14(13)19-2)17-15(18)11-7-8-12(16)9-11/h3-6,10-12H,7-9,16H2,1-2H3,(H,17,18)/t10-,11?,12?/m0/s1
InChIKeyXJQGFCCAILFSEU-UNXYVOJBSA-N
XLogP2.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 119785349
3-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 66010445
trans-(1R,3R)-3-amino-N-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 124778177
3-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 63043593
2-amino-N-[1-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119683016
3-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119830666
(3S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 81141408
3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81350102
3-amino-N-[(1S)-1-pyridin-2-ylethyl]cyclopentane-1-carboxamide
CID 81407435
3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 63044500
3-amino-N-[1-(5-chloro-2-methoxyphenyl)-3-methylbutyl]cyclopentane-1-carboxamide
CID 119798178
3-amino-N-[2-(2-methoxyphenyl)propan-2-yl]cyclopentane-1-carboxamide
CID 119772802

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide (CID 81387626) is 3-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide is COc1ccccc1[C@H](C)NC(=O)C1CCC(N)C1.
What is the InChIKey of 3-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is XJQGFCCAILFSEU-UNXYVOJBSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(13-5-3-4-6-14(13)19-2)17-15(18)11-7-8-12(16)9-11/h3-6,10-12H,7-9,16H2,1-2H3,(H,17,18)/t10-,11?,12?/m0/s1.
What are the key properties of 3-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide?
3-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 81387626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).