2-[(cyclopentyloxyamino)methyl]benzoic acid

C13H17NO3 — CID 103262137

IUPAC2-[(cyclopentyloxyamino)methyl]benzoic acid
SMILESO=C(O)c1ccccc1CNOC1CCCC1
InChIInChI=1S/C13H17NO3/c15-13(16)12-8-4-1-5-10(12)9-14-17-11-6-2-3-7-11/h1,4-5,8,11,14H,2-3,6-7,9H2,(H,15,16)
InChIKeyDIFHFEZTHKPGBE-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.35
Rot. Bonds5

About 2-[(cyclopentyloxyamino)methyl]benzoic acid

2-[(cyclopentyloxyamino)methyl]benzoic acid (PubChem CID 103262137) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-[(cyclopentyloxyamino)methyl]benzoic acid.

Molecular Properties

Compound Name2-[(cyclopentyloxyamino)methyl]benzoic acid
PubChem CID103262137
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-[(cyclopentyloxyamino)methyl]benzoic acid
SMILESO=C(O)c1ccccc1CNOC1CCCC1
InChIInChI=1S/C13H17NO3/c15-13(16)12-8-4-1-5-10(12)9-14-17-11-6-2-3-7-11/h1,4-5,8,11,14H,2-3,6-7,9H2,(H,15,16)
InChIKeyDIFHFEZTHKPGBE-UHFFFAOYSA-N
XLogP2.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(cyclopentyloxyamino)methyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(cyclohexylamino)methyl]benzoic acid
CID 17156908
2-[(cyclohexylamino)methyl]benzoic acid;hydrochloride
CID 17156907
2-(cyclopentyloxymethyl)benzoic acid
CID 43473147
2-[(2-cyclohexyloxyethylamino)methyl]benzoic acid
CID 103251682
3-[(cyclopentyloxyamino)methyl]furan-2-carboxylic acid
CID 103262102
N-cyclopentyloxy-1-(2-methoxyphenyl)methanamine
CID 83229129
2-[2-(cyclopentylamino)ethyl]benzoic acid
CID 82934034
2-[[[3,5-bis[(2-carboxyphenyl)methylamino]cyclohexyl]amino]methyl]benzoic acid
CID 102081252
2-(2-cyclobutylethoxymethyl)benzoic acid
CID 106199375
N-cyclopentyloxy-2-phenylacetamide
CID 83202949
2-[[(1-methylcyclopropyl)amino]methyl]benzoic acid
CID 103264014
2-[2-(1-cyclopentylethylamino)-2-oxoethyl]benzoic acid
CID 104601586

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopentyloxyamino)methyl]benzoic acid?
The IUPAC name of 2-[(cyclopentyloxyamino)methyl]benzoic acid (CID 103262137) is 2-[(cyclopentyloxyamino)methyl]benzoic acid.
What is the SMILES notation for 2-[(cyclopentyloxyamino)methyl]benzoic acid?
The canonical SMILES for 2-[(cyclopentyloxyamino)methyl]benzoic acid is O=C(O)c1ccccc1CNOC1CCCC1.
What is the InChIKey of 2-[(cyclopentyloxyamino)methyl]benzoic acid?
The InChIKey is DIFHFEZTHKPGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-13(16)12-8-4-1-5-10(12)9-14-17-11-6-2-3-7-11/h1,4-5,8,11,14H,2-3,6-7,9H2,(H,15,16).
What are the key properties of 2-[(cyclopentyloxyamino)methyl]benzoic acid?
2-[(cyclopentyloxyamino)methyl]benzoic acid has a molecular weight of 235.28 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopentyloxyamino)methyl]benzoic acid is sourced from PubChem (CID 103262137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).