2-[(3-amino-4-methoxyphenyl)methyl]pentanoic acid

C13H19NO3 — CID 142143859

IUPAC2-[(3-amino-4-methoxyphenyl)methyl]pentanoic acid
SMILESCCCC(Cc1ccc(OC)c(N)c1)C(=O)O
InChIInChI=1S/C13H19NO3/c1-3-4-10(13(15)16)7-9-5-6-12(17-2)11(14)8-9/h5-6,8,10H,3-4,7,14H2,1-2H3,(H,15,16)
InChIKeyCWWCOJSRWHYCMV-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.32
Rot. Bonds6

About 2-[(3-amino-4-methoxyphenyl)methyl]pentanoic acid

2-[(3-amino-4-methoxyphenyl)methyl]pentanoic acid (PubChem CID 142143859) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[(3-amino-4-methoxyphenyl)methyl]pentanoic acid.

Molecular Properties

Compound Name2-[(3-amino-4-methoxyphenyl)methyl]pentanoic acid
PubChem CID142143859
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-[(3-amino-4-methoxyphenyl)methyl]pentanoic acid
SMILESCCCC(Cc1ccc(OC)c(N)c1)C(=O)O
InChIInChI=1S/C13H19NO3/c1-3-4-10(13(15)16)7-9-5-6-12(17-2)11(14)8-9/h5-6,8,10H,3-4,7,14H2,1-2H3,(H,15,16)
InChIKeyCWWCOJSRWHYCMV-UHFFFAOYSA-N
XLogP2.32
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(3-amino-4-methoxyphenyl)methyl]pentanoic 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

5-(2-ethoxycarbonylpentyl)-2-methoxybenzoic acid
CID 11022762
2-[(2,5-dimethoxyphenyl)methyl]pentanoic acid
CID 84752870
2-(aminomethyl)-3-(4-methoxy-3-methylphenyl)propanoic acid
CID 62133714
2,7-bis[(4-hydroxy-3-methoxyphenyl)methyl]octanedioic acid
CID 122512055
3-[1-(3-amino-4-methoxyphenyl)propan-2-yl-methylamino]propanoic acid
CID 82256121
4-hydroxy-2-[[4-methoxy-3-(2-methylbutan-2-yl)phenyl]methyl]butanoic acid
CID 21199217
(2S)-2-[[3-[[4-(4-hydroxyphenoxy)phenyl]methylcarbamoyl]-4-methoxyphenyl]methyl]pentanoic acid
CID 139985268
2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoic acid
CID 21120243
2-[(3-tert-butyl-4-methoxyphenyl)methyl]butanoic acid
CID 116930605
(2S)-3-(3-amino-4-methoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 68910907
2-methylpentyl 3-amino-4-methoxybenzoate
CID 62265567
2-[4-(2-aminopropyl)-2-methoxyphenoxy]pentanoic acid
CID 83049966

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-methoxyphenyl)methyl]pentanoic acid?
The IUPAC name of 2-[(3-amino-4-methoxyphenyl)methyl]pentanoic acid (CID 142143859) is 2-[(3-amino-4-methoxyphenyl)methyl]pentanoic acid.
What is the SMILES notation for 2-[(3-amino-4-methoxyphenyl)methyl]pentanoic acid?
The canonical SMILES for 2-[(3-amino-4-methoxyphenyl)methyl]pentanoic acid is CCCC(Cc1ccc(OC)c(N)c1)C(=O)O.
What is the InChIKey of 2-[(3-amino-4-methoxyphenyl)methyl]pentanoic acid?
The InChIKey is CWWCOJSRWHYCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-4-10(13(15)16)7-9-5-6-12(17-2)11(14)8-9/h5-6,8,10H,3-4,7,14H2,1-2H3,(H,15,16).
What are the key properties of 2-[(3-amino-4-methoxyphenyl)methyl]pentanoic acid?
2-[(3-amino-4-methoxyphenyl)methyl]pentanoic acid has a molecular weight of 237.30 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-methoxyphenyl)methyl]pentanoic acid is sourced from PubChem (CID 142143859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).