1-[2-(3-methylphenyl)ethylamino]cyclopentane-1-carboxylic acid

C15H21NO2 — CID 114999787

IUPAC1-[2-(3-methylphenyl)ethylamino]cyclopentane-1-carboxylic acid
SMILESCc1cccc(CCNC2(C(=O)O)CCCC2)c1
InChIInChI=1S/C15H21NO2/c1-12-5-4-6-13(11-12)7-10-16-15(14(17)18)8-2-3-9-15/h4-6,11,16H,2-3,7-10H2,1H3,(H,17,18)
InChIKeyHTQHOKCVTMAAAE-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.52
Rot. Bonds5

About 1-[2-(3-methylphenyl)ethylamino]cyclopentane-1-carboxylic acid

1-[2-(3-methylphenyl)ethylamino]cyclopentane-1-carboxylic acid (PubChem CID 114999787) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[2-(3-methylphenyl)ethylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-methylphenyl)ethylamino]cyclopentane-1-carboxylic acid
PubChem CID114999787
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[2-(3-methylphenyl)ethylamino]cyclopentane-1-carboxylic acid
SMILESCc1cccc(CCNC2(C(=O)O)CCCC2)c1
InChIInChI=1S/C15H21NO2/c1-12-5-4-6-13(11-12)7-10-16-15(14(17)18)8-2-3-9-15/h4-6,11,16H,2-3,7-10H2,1H3,(H,17,18)
InChIKeyHTQHOKCVTMAAAE-UHFFFAOYSA-N
XLogP2.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-methylphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62314860
1-[(3-methylphenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 81162802
1-[[2-(3-methylphenyl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446754
ethyl 1-(2-phenylethylamino)cyclopentane-1-carboxylate
CID 152760490
1-cyano-N-[2-(3-methylphenyl)ethyl]cyclobutane-1-carboxamide
CID 78994342
2-(1-aminocyclohexyl)-N-[2-(3-methylphenyl)ethyl]acetamide
CID 64679676
3-[3-(3-methylphenyl)propanoylamino]thiolane-3-carboxylic acid
CID 62367417
1-carbamothioyl-N-[2-(3-methylphenyl)ethyl]cyclopentane-1-carboxamide
CID 62313942
1-(benzylamino)cycloheptane-1-carboxylic acid
CID 60991600
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methylphenyl)propanamide
CID 115362508
1-(3-methylanilino)cyclobutane-1-carboxylic acid
CID 62389633
1-[(3-bromophenyl)methylamino]cyclopentane-1-carboxylic acid
CID 67025452

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylphenyl)ethylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(3-methylphenyl)ethylamino]cyclopentane-1-carboxylic acid (CID 114999787) is 1-[2-(3-methylphenyl)ethylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(3-methylphenyl)ethylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(3-methylphenyl)ethylamino]cyclopentane-1-carboxylic acid is Cc1cccc(CCNC2(C(=O)O)CCCC2)c1.
What is the InChIKey of 1-[2-(3-methylphenyl)ethylamino]cyclopentane-1-carboxylic acid?
The InChIKey is HTQHOKCVTMAAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12-5-4-6-13(11-12)7-10-16-15(14(17)18)8-2-3-9-15/h4-6,11,16H,2-3,7-10H2,1H3,(H,17,18).
What are the key properties of 1-[2-(3-methylphenyl)ethylamino]cyclopentane-1-carboxylic acid?
1-[2-(3-methylphenyl)ethylamino]cyclopentane-1-carboxylic acid has a molecular weight of 247.34 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylphenyl)ethylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114999787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).