4-amino-3-(cyclopentylmethoxy)benzoic acid

C13H17NO3 — CID 61344123

IUPAC4-amino-3-(cyclopentylmethoxy)benzoic acid
SMILESNc1ccc(C(=O)O)cc1OCC1CCCC1
InChIInChI=1S/C13H17NO3/c14-11-6-5-10(13(15)16)7-12(11)17-8-9-3-1-2-4-9/h5-7,9H,1-4,8,14H2,(H,15,16)
InChIKeyMSKGVHQCROYDFL-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.54
Rot. Bonds4

About 4-amino-3-(cyclopentylmethoxy)benzoic acid

4-amino-3-(cyclopentylmethoxy)benzoic acid (PubChem CID 61344123) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 4-amino-3-(cyclopentylmethoxy)benzoic acid.

Molecular Properties

Compound Name4-amino-3-(cyclopentylmethoxy)benzoic acid
PubChem CID61344123
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name4-amino-3-(cyclopentylmethoxy)benzoic acid
SMILESNc1ccc(C(=O)O)cc1OCC1CCCC1
InChIInChI=1S/C13H17NO3/c14-11-6-5-10(13(15)16)7-12(11)17-8-9-3-1-2-4-9/h5-7,9H,1-4,8,14H2,(H,15,16)
InChIKeyMSKGVHQCROYDFL-UHFFFAOYSA-N
XLogP2.54
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-(cycloheptylmethoxy)benzamide
CID 114247963
4-amino-3-(cyclohexylmethoxy)-N-ethylbenzamide
CID 63358647
3,4-bis(cyclopropylmethoxy)benzoic acid
CID 102594223
3-(cyclobutylmethoxy)-4-methylbenzoic acid
CID 65458690
4-amino-2-(cyclopentylmethoxy)benzoic acid
CID 66321807
[4-amino-3-(cyclopropylmethoxy)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 118286442
4-amino-3-(carboxymethoxy)benzoic acid
CID 11310358
4-amino-3-(cyclohexylmethylamino)benzoic acid
CID 82785208
methyl 4-amino-3-(2-cyclopentylethoxy)benzoate
CID 114191521
3-chlorosulfonyl-4-(cyclobutylmethoxy)benzoic acid
CID 65458945
3-(cyclooctylmethoxy)benzoic acid
CID 58347494
4-(cyclopropylmethoxy)-3-sulfamoylbenzoic acid
CID 43560583

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(cyclopentylmethoxy)benzoic acid?
The IUPAC name of 4-amino-3-(cyclopentylmethoxy)benzoic acid (CID 61344123) is 4-amino-3-(cyclopentylmethoxy)benzoic acid.
What is the SMILES notation for 4-amino-3-(cyclopentylmethoxy)benzoic acid?
The canonical SMILES for 4-amino-3-(cyclopentylmethoxy)benzoic acid is Nc1ccc(C(=O)O)cc1OCC1CCCC1.
What is the InChIKey of 4-amino-3-(cyclopentylmethoxy)benzoic acid?
The InChIKey is MSKGVHQCROYDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c14-11-6-5-10(13(15)16)7-12(11)17-8-9-3-1-2-4-9/h5-7,9H,1-4,8,14H2,(H,15,16).
What are the key properties of 4-amino-3-(cyclopentylmethoxy)benzoic acid?
4-amino-3-(cyclopentylmethoxy)benzoic acid has a molecular weight of 235.28 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(cyclopentylmethoxy)benzoic acid is sourced from PubChem (CID 61344123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).