4-[(4-cyclopropylphenyl)methylamino]-5-phenylpentanoic acid

C21H25NO2 — CID 122045700

IUPAC4-[(4-cyclopropylphenyl)methylamino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NCc1ccc(C2CC2)cc1
InChIInChI=1S/C21H25NO2/c23-21(24)13-12-20(14-16-4-2-1-3-5-16)22-15-17-6-8-18(9-7-17)19-10-11-19/h1-9,19-20,22H,10-15H2,(H,23,24)
InChIKeyVTJZFUHZLUZMBU-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.13
Rot. Bonds9

About 4-[(4-cyclopropylphenyl)methylamino]-5-phenylpentanoic acid

4-[(4-cyclopropylphenyl)methylamino]-5-phenylpentanoic acid (PubChem CID 122045700) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-[(4-cyclopropylphenyl)methylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(4-cyclopropylphenyl)methylamino]-5-phenylpentanoic acid
PubChem CID122045700
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name4-[(4-cyclopropylphenyl)methylamino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NCc1ccc(C2CC2)cc1
InChIInChI=1S/C21H25NO2/c23-21(24)13-12-20(14-16-4-2-1-3-5-16)22-15-17-6-8-18(9-7-17)19-10-11-19/h1-9,19-20,22H,10-15H2,(H,23,24)
InChIKeyVTJZFUHZLUZMBU-UHFFFAOYSA-N
XLogP4.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(4-cyclopropylphenyl)methylamino]-5-phenylpentanoic 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

4-[[4-(2-methylpropyl)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511992
4-[(4-bromophenyl)methylamino]-5-phenylpentanoic acid
CID 120512028
5-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)pentanoic acid
CID 122045767
4-[[4-(methylcarbamoyl)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511914
4-[[4-(difluoromethoxy)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511928
4-[(3-chlorophenyl)methylamino]-5-phenylpentanoic acid
CID 120511853
4-[(3-chloro-4-methylphenyl)methylamino]-5-phenylpentanoic acid
CID 122045862
4-[(3,4-dimethoxyphenyl)methylamino]-5-phenylpentanoic acid
CID 120511858
4-[(4-fluoro-3-methylphenyl)methylamino]-5-phenylpentanoic acid
CID 120511962
4-[(4-chloro-3-methylphenyl)methylamino]-5-phenylpentanoic acid
CID 120512052
4-[(2-chlorophenyl)methylamino]-5-phenylpentanoic acid
CID 120511981
4-[(5-chlorothiophen-2-yl)methylamino]-5-phenylpentanoic acid
CID 120511860

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopropylphenyl)methylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(4-cyclopropylphenyl)methylamino]-5-phenylpentanoic acid (CID 122045700) is 4-[(4-cyclopropylphenyl)methylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(4-cyclopropylphenyl)methylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(4-cyclopropylphenyl)methylamino]-5-phenylpentanoic acid is O=C(O)CCC(Cc1ccccc1)NCc1ccc(C2CC2)cc1.
What is the InChIKey of 4-[(4-cyclopropylphenyl)methylamino]-5-phenylpentanoic acid?
The InChIKey is VTJZFUHZLUZMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c23-21(24)13-12-20(14-16-4-2-1-3-5-16)22-15-17-6-8-18(9-7-17)19-10-11-19/h1-9,19-20,22H,10-15H2,(H,23,24).
What are the key properties of 4-[(4-cyclopropylphenyl)methylamino]-5-phenylpentanoic acid?
4-[(4-cyclopropylphenyl)methylamino]-5-phenylpentanoic acid has a molecular weight of 323.44 g/mol, XLogP of 4.13, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclopropylphenyl)methylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122045700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).