4-[(2-methyl-3-phenylpropyl)amino]-5-phenylpentanoic acid

C21H27NO2 — CID 122045966

IUPAC4-[(2-methyl-3-phenylpropyl)amino]-5-phenylpentanoic acid
SMILESCC(CNC(CCC(=O)O)Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H27NO2/c1-17(14-18-8-4-2-5-9-18)16-22-20(12-13-21(23)24)15-19-10-6-3-7-11-19/h2-11,17,20,22H,12-16H2,1H3,(H,23,24)
InChIKeyDOTCLJQZEZNDKX-UHFFFAOYSA-N
MW325.45 g/mol
LogP3.93
Rot. Bonds10

About 4-[(2-methyl-3-phenylpropyl)amino]-5-phenylpentanoic acid

4-[(2-methyl-3-phenylpropyl)amino]-5-phenylpentanoic acid (PubChem CID 122045966) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 4-[(2-methyl-3-phenylpropyl)amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(2-methyl-3-phenylpropyl)amino]-5-phenylpentanoic acid
PubChem CID122045966
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name4-[(2-methyl-3-phenylpropyl)amino]-5-phenylpentanoic acid
SMILESCC(CNC(CCC(=O)O)Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H27NO2/c1-17(14-18-8-4-2-5-9-18)16-22-20(12-13-21(23)24)15-19-10-6-3-7-11-19/h2-11,17,20,22H,12-16H2,1H3,(H,23,24)
InChIKeyDOTCLJQZEZNDKX-UHFFFAOYSA-N
XLogP3.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(2-methyl-3-phenylpropyl)amino]-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-(2-methylbutylamino)-5-phenylpentanoic acid
CID 122045900
4-[(3-methyl-2-propan-2-ylbutyl)amino]-5-phenylpentanoic acid
CID 122045784
4-[[4-(2-methylpropyl)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511992
(4S)-4-methyl-5-phenylpentanoic acid
CID 6995676
(4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid
CID 155468055
5-phenyl-4-[2-(4-propan-2-ylphenyl)ethylamino]pentanoic acid
CID 122045940
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-[(4-bromophenyl)methylamino]-5-phenylpentanoic acid
CID 120512028
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
4-[(2-chlorophenyl)methylamino]-5-phenylpentanoic acid
CID 120511981
4-[(2-methoxyphenyl)methylamino]-5-phenylpentanoic acid
CID 120511898
4-[[4-(methylcarbamoyl)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511914

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-3-phenylpropyl)amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(2-methyl-3-phenylpropyl)amino]-5-phenylpentanoic acid (CID 122045966) is 4-[(2-methyl-3-phenylpropyl)amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(2-methyl-3-phenylpropyl)amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(2-methyl-3-phenylpropyl)amino]-5-phenylpentanoic acid is CC(CNC(CCC(=O)O)Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 4-[(2-methyl-3-phenylpropyl)amino]-5-phenylpentanoic acid?
The InChIKey is DOTCLJQZEZNDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-17(14-18-8-4-2-5-9-18)16-22-20(12-13-21(23)24)15-19-10-6-3-7-11-19/h2-11,17,20,22H,12-16H2,1H3,(H,23,24).
What are the key properties of 4-[(2-methyl-3-phenylpropyl)amino]-5-phenylpentanoic acid?
4-[(2-methyl-3-phenylpropyl)amino]-5-phenylpentanoic acid has a molecular weight of 325.45 g/mol, XLogP of 3.93, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-3-phenylpropyl)amino]-5-phenylpentanoic acid is sourced from PubChem (CID 122045966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).