4-amino-3-(4-cyclopropylphenyl)pentanoic acid

C14H19NO2 — CID 79978502

IUPAC4-amino-3-(4-cyclopropylphenyl)pentanoic acid
SMILESCC(N)C(CC(=O)O)c1ccc(C2CC2)cc1
InChIInChI=1S/C14H19NO2/c1-9(15)13(8-14(16)17)12-6-4-11(5-7-12)10-2-3-10/h4-7,9-10,13H,2-3,8,15H2,1H3,(H,16,17)
InChIKeySYHAXLCGPBTTQV-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.47
Rot. Bonds5

About 4-amino-3-(4-cyclopropylphenyl)pentanoic acid

4-amino-3-(4-cyclopropylphenyl)pentanoic acid (PubChem CID 79978502) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-amino-3-(4-cyclopropylphenyl)pentanoic acid.

Molecular Properties

Compound Name4-amino-3-(4-cyclopropylphenyl)pentanoic acid
PubChem CID79978502
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-amino-3-(4-cyclopropylphenyl)pentanoic acid
SMILESCC(N)C(CC(=O)O)c1ccc(C2CC2)cc1
InChIInChI=1S/C14H19NO2/c1-9(15)13(8-14(16)17)12-6-4-11(5-7-12)10-2-3-10/h4-7,9-10,13H,2-3,8,15H2,1H3,(H,16,17)
InChIKeySYHAXLCGPBTTQV-UHFFFAOYSA-N
XLogP2.47
TPSA63.32 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 ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-amino-3-(4-cyclopropylphenyl)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

3-(4-cyclohexylphenyl)-4-methylpentanoic acid
CID 52983807
4-amino-3-(4-cyclopropylphenyl)pentan-1-ol
CID 79977799
(2S)-2-(4-cyclopropylphenyl)butanedioic acid
CID 799527
4-(4-cyclopropylphenyl)-3-methyl-4-oxobutanoic acid
CID 79980110
4-amino-3-(2-cyclopropylphenyl)pentanoic acid
CID 79983405
4-amino-3-(3,4-difluorophenyl)pentanoic acid
CID 66097703
1-(4-cyclopropylphenyl)ethanamine
CID 55211304
(2S)-2-amino-2-(4-cyclohexylphenyl)acetic acid
CID 66512949
4-amino-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanoic acid
CID 66097078
4-amino-3-[3-(difluoromethyl)phenyl]pentanoic acid
CID 115529886
2-amino-2-[4-(4,4-dimethylcyclohexyl)phenyl]acetic acid
CID 117408120
3-(4-cyclopropylphenyl)-3-piperidin-1-ylpropanoic acid
CID 79978018

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-cyclopropylphenyl)pentanoic acid?
The IUPAC name of 4-amino-3-(4-cyclopropylphenyl)pentanoic acid (CID 79978502) is 4-amino-3-(4-cyclopropylphenyl)pentanoic acid.
What is the SMILES notation for 4-amino-3-(4-cyclopropylphenyl)pentanoic acid?
The canonical SMILES for 4-amino-3-(4-cyclopropylphenyl)pentanoic acid is CC(N)C(CC(=O)O)c1ccc(C2CC2)cc1.
What is the InChIKey of 4-amino-3-(4-cyclopropylphenyl)pentanoic acid?
The InChIKey is SYHAXLCGPBTTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9(15)13(8-14(16)17)12-6-4-11(5-7-12)10-2-3-10/h4-7,9-10,13H,2-3,8,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-3-(4-cyclopropylphenyl)pentanoic acid?
4-amino-3-(4-cyclopropylphenyl)pentanoic acid has a molecular weight of 233.31 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-cyclopropylphenyl)pentanoic acid is sourced from PubChem (CID 79978502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).