2-[2-(cyclopentylamino)ethyl]benzoic acid

C14H19NO2 — CID 82934034

IUPAC2-[2-(cyclopentylamino)ethyl]benzoic acid
SMILESO=C(O)c1ccccc1CCNC1CCCC1
InChIInChI=1S/C14H19NO2/c16-14(17)13-8-4-1-5-11(13)9-10-15-12-6-2-3-7-12/h1,4-5,8,12,15H,2-3,6-7,9-10H2,(H,16,17)
InChIKeyWQDKDWHDWWQHEK-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.46
Rot. Bonds5

About 2-[2-(cyclopentylamino)ethyl]benzoic acid

2-[2-(cyclopentylamino)ethyl]benzoic acid (PubChem CID 82934034) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[2-(cyclopentylamino)ethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(cyclopentylamino)ethyl]benzoic acid
PubChem CID82934034
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-[2-(cyclopentylamino)ethyl]benzoic acid
SMILESO=C(O)c1ccccc1CCNC1CCCC1
InChIInChI=1S/C14H19NO2/c16-14(17)13-8-4-1-5-11(13)9-10-15-12-6-2-3-7-12/h1,4-5,8,12,15H,2-3,6-7,9-10H2,(H,16,17)
InChIKeyWQDKDWHDWWQHEK-UHFFFAOYSA-N
XLogP2.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(cyclohexylamino)methyl]benzoic acid
CID 17156908
2-[(cyclohexylamino)methyl]benzoic acid;hydrochloride
CID 17156907
2-[2-(oxan-2-ylmethylamino)ethyl]benzoic acid
CID 113425613
2-(cyclopentyloxymethyl)benzoic acid
CID 43473147
N-[2-(2-nitrophenyl)ethyl]cyclooctanamine
CID 63063998
2-[(cyclopentyloxyamino)methyl]benzoic acid
CID 103262137
2-[2-[[2-(cyclopropylamino)acetyl]-methylamino]ethyl]benzoic acid
CID 104548350
2-[[[3,5-bis[(2-carboxyphenyl)methylamino]cyclohexyl]amino]methyl]benzoic acid
CID 102081252
2-[2-(cyclohexylcarbamoyl)phenyl]acetic acid
CID 114199766
2-[2-(thiolan-3-ylcarbamoylamino)ethyl]benzoic acid
CID 103063941
2-[(2-cyclohexyloxyethylamino)methyl]benzoic acid
CID 103251682
2-[2-[3-(oxolan-2-yl)propylamino]ethyl]benzoic acid
CID 104546797

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentylamino)ethyl]benzoic acid?
The IUPAC name of 2-[2-(cyclopentylamino)ethyl]benzoic acid (CID 82934034) is 2-[2-(cyclopentylamino)ethyl]benzoic acid.
What is the SMILES notation for 2-[2-(cyclopentylamino)ethyl]benzoic acid?
The canonical SMILES for 2-[2-(cyclopentylamino)ethyl]benzoic acid is O=C(O)c1ccccc1CCNC1CCCC1.
What is the InChIKey of 2-[2-(cyclopentylamino)ethyl]benzoic acid?
The InChIKey is WQDKDWHDWWQHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c16-14(17)13-8-4-1-5-11(13)9-10-15-12-6-2-3-7-12/h1,4-5,8,12,15H,2-3,6-7,9-10H2,(H,16,17).
What are the key properties of 2-[2-(cyclopentylamino)ethyl]benzoic acid?
2-[2-(cyclopentylamino)ethyl]benzoic acid has a molecular weight of 233.31 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentylamino)ethyl]benzoic acid is sourced from PubChem (CID 82934034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).