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

C15H21NO2 — CID 125452234

IUPAC1-[(1S)-2-amino-1-(2-methylphenyl)ethyl]cyclopentane-1-carboxylic acid
SMILESCc1ccccc1[C@H](CN)C1(C(=O)O)CCCC1
InChIInChI=1S/C15H21NO2/c1-11-6-2-3-7-12(11)13(10-16)15(14(17)18)8-4-5-9-15/h2-3,6-7,13H,4-5,8-10,16H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyHQNBNEVVZAQODY-ZDUSSCGKSA-N
MW247.34 g/mol
LogP2.68
Rot. Bonds4

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

1-[(1S)-2-amino-1-(2-methylphenyl)ethyl]cyclopentane-1-carboxylic acid (PubChem CID 125452234) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[(1S)-2-amino-1-(2-methylphenyl)ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1S)-2-amino-1-(2-methylphenyl)ethyl]cyclopentane-1-carboxylic acid
PubChem CID125452234
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[(1S)-2-amino-1-(2-methylphenyl)ethyl]cyclopentane-1-carboxylic acid
SMILESCc1ccccc1[C@H](CN)C1(C(=O)O)CCCC1
InChIInChI=1S/C15H21NO2/c1-11-6-2-3-7-12(11)13(10-16)15(14(17)18)8-4-5-9-15/h2-3,6-7,13H,4-5,8-10,16H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyHQNBNEVVZAQODY-ZDUSSCGKSA-N
XLogP2.68
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(1R)-2-amino-1-(2-methylphenyl)ethyl]cyclopentyl]methanol
CID 125454181
1-[(1S)-2-amino-1-(2-cyanophenyl)ethyl]cyclopentane-1-carboxylic acid
CID 125454135
1-[hydroxy-(2-methylphenyl)methyl]cyclopentane-1-carboxylic acid
CID 105494496
1-[(1S)-2-amino-1-(2-cyanophenyl)ethyl]cyclobutane-1-carboxylic acid
CID 125452888
1-[(1R)-2-amino-1-(4-propan-2-ylphenyl)ethyl]cyclopentane-1-carboxylic acid
CID 125453369
1-[hydroxy-(2-methylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 84674072
1-[(1R)-2-amino-1-(4-methyl-1H-pyrazol-5-yl)ethyl]cyclopentane-1-carboxylic acid
CID 125452090
1-[(1S)-2-amino-1-(4-methyl-1H-pyrazol-5-yl)ethyl]cyclopentane-1-carboxylic acid
CID 125452096
1-[(1S)-2-amino-1-(3-hydroxyphenyl)ethyl]cyclobutane-1-carboxylic acid
CID 125453575
2-[(1R)-2-amino-1-[1-(hydroxymethyl)cyclopentyl]ethyl]phenol
CID 125454175
1-[(1R)-2-amino-1-(3-chlorophenyl)ethyl]cyclobutane-1-carboxylic acid
CID 125452500
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-methylphenyl)ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(1S)-2-amino-1-(2-methylphenyl)ethyl]cyclopentane-1-carboxylic acid (CID 125452234) is 1-[(1S)-2-amino-1-(2-methylphenyl)ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(1S)-2-amino-1-(2-methylphenyl)ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(1S)-2-amino-1-(2-methylphenyl)ethyl]cyclopentane-1-carboxylic acid is Cc1ccccc1[C@H](CN)C1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(1S)-2-amino-1-(2-methylphenyl)ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is HQNBNEVVZAQODY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-6-2-3-7-12(11)13(10-16)15(14(17)18)8-4-5-9-15/h2-3,6-7,13H,4-5,8-10,16H2,1H3,(H,17,18)/t13-/m0/s1.
What are the key properties of 1-[(1S)-2-amino-1-(2-methylphenyl)ethyl]cyclopentane-1-carboxylic acid?
1-[(1S)-2-amino-1-(2-methylphenyl)ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 247.34 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-amino-1-(2-methylphenyl)ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 125452234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).