1-[(1S)-2-amino-1-(2-cyanophenyl)ethyl]cyclopentane-1-carboxylic acid

C15H18N2O2 — CID 125454135

IUPAC1-[(1S)-2-amino-1-(2-cyanophenyl)ethyl]cyclopentane-1-carboxylic acid
SMILESN#Cc1ccccc1[C@H](CN)C1(C(=O)O)CCCC1
InChIInChI=1S/C15H18N2O2/c16-9-11-5-1-2-6-12(11)13(10-17)15(14(18)19)7-3-4-8-15/h1-2,5-6,13H,3-4,7-8,10,17H2,(H,18,19)/t13-/m0/s1
InChIKeyYDPZQUOUEDGXIC-ZDUSSCGKSA-N
MW258.32 g/mol
LogP2.25
Rot. Bonds4

About 1-[(1S)-2-amino-1-(2-cyanophenyl)ethyl]cyclopentane-1-carboxylic acid

1-[(1S)-2-amino-1-(2-cyanophenyl)ethyl]cyclopentane-1-carboxylic acid (PubChem CID 125454135) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[(1S)-2-amino-1-(2-cyanophenyl)ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1S)-2-amino-1-(2-cyanophenyl)ethyl]cyclopentane-1-carboxylic acid
PubChem CID125454135
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-[(1S)-2-amino-1-(2-cyanophenyl)ethyl]cyclopentane-1-carboxylic acid
SMILESN#Cc1ccccc1[C@H](CN)C1(C(=O)O)CCCC1
InChIInChI=1S/C15H18N2O2/c16-9-11-5-1-2-6-12(11)13(10-17)15(14(18)19)7-3-4-8-15/h1-2,5-6,13H,3-4,7-8,10,17H2,(H,18,19)/t13-/m0/s1
InChIKeyYDPZQUOUEDGXIC-ZDUSSCGKSA-N
XLogP2.25
TPSA87.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-2-amino-1-(2-cyanophenyl)ethyl]cyclobutane-1-carboxylic acid
CID 125452888
1-[(1S)-2-amino-1-(2-methylphenyl)ethyl]cyclopentane-1-carboxylic acid
CID 125452234
1-[(1R)-2-amino-1-(3-cyanophenyl)ethyl]cyclobutane-1-carboxylic acid
CID 125454213
1-[(1S)-2-amino-1-(3-hydroxyphenyl)ethyl]cyclobutane-1-carboxylic acid
CID 125453575
1-[(1R)-2-amino-1-(3-chlorophenyl)ethyl]cyclobutane-1-carboxylic acid
CID 125452500
1-[(1S)-2-amino-1-(1H-pyrazol-5-yl)ethyl]cyclobutane-1-carboxylic acid
CID 125452194
[1-[(1R)-2-amino-1-(2-methylphenyl)ethyl]cyclopentyl]methanol
CID 125454181
2-(1-amino-2-oxopropyl)benzonitrile
CID 55294703
1-[hydroxy-(2-methylphenyl)methyl]cyclopentane-1-carboxylic acid
CID 105494496
diethyl 2-(2-cyanophenyl)propanedioate
CID 13050091
2-[amino(hydroxy)methyl]benzonitrile
CID 22991713
1-[(1S)-2-amino-1-(1-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxylic acid
CID 125451251

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-amino-1-(2-cyanophenyl)ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(1S)-2-amino-1-(2-cyanophenyl)ethyl]cyclopentane-1-carboxylic acid (CID 125454135) is 1-[(1S)-2-amino-1-(2-cyanophenyl)ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(1S)-2-amino-1-(2-cyanophenyl)ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(1S)-2-amino-1-(2-cyanophenyl)ethyl]cyclopentane-1-carboxylic acid is N#Cc1ccccc1[C@H](CN)C1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(1S)-2-amino-1-(2-cyanophenyl)ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is YDPZQUOUEDGXIC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N2O2/c16-9-11-5-1-2-6-12(11)13(10-17)15(14(18)19)7-3-4-8-15/h1-2,5-6,13H,3-4,7-8,10,17H2,(H,18,19)/t13-/m0/s1.
What are the key properties of 1-[(1S)-2-amino-1-(2-cyanophenyl)ethyl]cyclopentane-1-carboxylic acid?
1-[(1S)-2-amino-1-(2-cyanophenyl)ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-amino-1-(2-cyanophenyl)ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 125454135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).