trans-(1R,3R)-3-amino-N-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide

C15H22N2O3 — CID 124778177

IUPACtrans-(1R,3R)-3-amino-N-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
SMILESCOc1ccccc1[C@H](O)CNC(=O)[C@@H]1CC[C@@H](N)C1
InChIInChI=1S/C15H22N2O3/c1-20-14-5-3-2-4-12(14)13(18)9-17-15(19)10-6-7-11(16)8-10/h2-5,10-11,13,18H,6-9,16H2,1H3,(H,17,19)/t10-,11-,13-/m1/s1
InChIKeyXFDNEJSDYDNOPF-NQBHXWOUSA-N
MW278.35 g/mol
LogP0.97
Rot. Bonds5

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

trans-(1R,3R)-3-amino-N-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide (PubChem CID 124778177) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is trans-(1R,3R)-3-amino-N-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3R)-3-amino-N-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
PubChem CID124778177
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nametrans-(1R,3R)-3-amino-N-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
SMILESCOc1ccccc1[C@H](O)CNC(=O)[C@@H]1CC[C@@H](N)C1
InChIInChI=1S/C15H22N2O3/c1-20-14-5-3-2-4-12(14)13(18)9-17-15(19)10-6-7-11(16)8-10/h2-5,10-11,13,18H,6-9,16H2,1H3,(H,17,19)/t10-,11-,13-/m1/s1
InChIKeyXFDNEJSDYDNOPF-NQBHXWOUSA-N
XLogP0.97
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze trans-(1R,3R)-3-amino-N-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide with MolForge

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Related Compounds

3-amino-N-[2-(2-chlorophenyl)-2-hydroxyethyl]cyclopentane-1-carboxamide
CID 154759854
3-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119830666
N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 119293173
3-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 81387626
3-amino-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119765481
3-amino-N-[2-(2-chlorophenoxy)propyl]cyclopentane-1-carboxamide
CID 119725465
cis-(1S,3R)-3-amino-N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]cyclopentane-1-carboxamide
CID 124701417
trans-(1R,3R)-3-amino-N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]cyclopentane-1-carboxamide
CID 124701313
3-amino-N-[2-(2-bromophenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119804683
2-(cyclopropylmethylamino)-N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]acetamide;hydrochloride
CID 119730492
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]acetamide
CID 119730495
3-amino-N-[2-(2-methylphenoxy)butyl]cyclopentane-1-carboxamide;hydrochloride
CID 119819930

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-amino-N-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of trans-(1R,3R)-3-amino-N-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide (CID 124778177) is trans-(1R,3R)-3-amino-N-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1R,3R)-3-amino-N-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1R,3R)-3-amino-N-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide is COc1ccccc1[C@H](O)CNC(=O)[C@@H]1CC[C@@H](N)C1.
What is the InChIKey of trans-(1R,3R)-3-amino-N-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is XFDNEJSDYDNOPF-NQBHXWOUSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-20-14-5-3-2-4-12(14)13(18)9-17-15(19)10-6-7-11(16)8-10/h2-5,10-11,13,18H,6-9,16H2,1H3,(H,17,19)/t10-,11-,13-/m1/s1.
What are the key properties of trans-(1R,3R)-3-amino-N-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide?
trans-(1R,3R)-3-amino-N-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-amino-N-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 124778177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).