(2R)-2-amino-3-[4-[[(2R)-2-cyclopentyl-2-[4-[4-(hydroxymethyl)phenyl]phenyl]ethyl]carbamoyl]phenyl]propanoic acid

C30H34N2O4 — CID 121454758

IUPAC(2R)-2-amino-3-[4-[[(2R)-2-cyclopentyl-2-[4-[4-(hydroxymethyl)phenyl]phenyl]ethyl]carbamoyl]phenyl]propanoic acid
SMILESN[C@H](Cc1ccc(C(=O)NC[C@@H](c2ccc(-c3ccc(CO)cc3)cc2)C2CCCC2)cc1)C(=O)O
InChIInChI=1S/C30H34N2O4/c31-28(30(35)36)17-20-5-11-26(12-6-20)29(34)32-18-27(24-3-1-2-4-24)25-15-13-23(14-16-25)22-9-7-21(19-33)8-10-22/h5-16,24,27-28,33H,1-4,17-19,31H2,(H,32,34)(H,35,36)/t27-,28-/m1/s1
InChIKeyUTTVNQKNQLTQMC-VSGBNLITSA-N
MW486.61 g/mol
LogP4.50
Rot. Bonds10

About (2R)-2-amino-3-[4-[[(2R)-2-cyclopentyl-2-[4-[4-(hydroxymethyl)phenyl]phenyl]ethyl]carbamoyl]phenyl]propanoic acid

(2R)-2-amino-3-[4-[[(2R)-2-cyclopentyl-2-[4-[4-(hydroxymethyl)phenyl]phenyl]ethyl]carbamoyl]phenyl]propanoic acid (PubChem CID 121454758) has the molecular formula C30H34N2O4 and a molecular weight of 486.61 g/mol. Its IUPAC name is (2R)-2-amino-3-[4-[[(2R)-2-cyclopentyl-2-[4-[4-(hydroxymethyl)phenyl]phenyl]ethyl]carbamoyl]phenyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[4-[[(2R)-2-cyclopentyl-2-[4-[4-(hydroxymethyl)phenyl]phenyl]ethyl]carbamoyl]phenyl]propanoic acid
PubChem CID121454758
Molecular FormulaC30H34N2O4
Molecular Weight486.61 g/mol
Exact Mass486.25
IUPAC Name(2R)-2-amino-3-[4-[[(2R)-2-cyclopentyl-2-[4-[4-(hydroxymethyl)phenyl]phenyl]ethyl]carbamoyl]phenyl]propanoic acid
SMILESN[C@H](Cc1ccc(C(=O)NC[C@@H](c2ccc(-c3ccc(CO)cc3)cc2)C2CCCC2)cc1)C(=O)O
InChIInChI=1S/C30H34N2O4/c31-28(30(35)36)17-20-5-11-26(12-6-20)29(34)32-18-27(24-3-1-2-4-24)25-15-13-23(14-16-25)22-9-7-21(19-33)8-10-22/h5-16,24,27-28,33H,1-4,17-19,31H2,(H,32,34)(H,35,36)/t27-,28-/m1/s1
InChIKeyUTTVNQKNQLTQMC-VSGBNLITSA-N
XLogP4.50
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.61
LogP ≤ 54.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-3-[4-[[(2R)-2-cyclopentyl-2-[4-[4-(hydroxymethyl)phenyl]phenyl]ethyl]carbamoyl]phenyl]propanoic 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

(2S)-2-amino-3-[4-[[(2R)-2-[4-(4-cyanophenyl)phenyl]-2-cycloheptylethyl]carbamoyl]phenyl]propanoic acid
CID 121454621
(2S)-2-amino-3-[4-[[(2R)-2-(4-bromophenyl)-2-(4,4-dimethylcyclohexyl)ethyl]carbamoyl]phenyl]propanoic acid
CID 121454674
(2S)-2-amino-3-[4-[[(2R)-3-methyl-2-[4-(4-methylphenyl)phenyl]butyl]carbamoyl]phenyl]propanoic acid
CID 121454766
(2S)-2-amino-3-[4-[2-(4-phenylphenyl)butylcarbamoyl]phenyl]propanoic acid
CID 121454841
(2R)-2-amino-3-[4-[[(2R)-3-methyl-2-[4-[4-(oxetan-3-yl)phenyl]phenyl]butyl]carbamoyl]phenyl]propanoic acid
CID 121454710
(2S)-2-amino-3-[4-[(4-phenylbenzoyl)amino]phenyl]propanoic acid
CID 58987459
2-amino-3-[4-[[(2R)-2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutyl]carbamoyl]phenyl]propanoic acid
CID 121454741
(2R)-2-amino-3-[4-[[(2R)-3-methyl-2-[4-(3-propan-2-ylphenyl)phenyl]butyl]carbamoyl]phenyl]propanoic acid
CID 121454938
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-4-phenylbenzamide
CID 95367502
(2S)-2-amino-3-(4-cyclopentylphenyl)propanoic acid
CID 68534657
(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
CID 70131876
2-amino-3-[4-[[2-[4-(3H-benzimidazol-5-yl)phenyl]-3-methylbutyl]carbamoyl]phenyl]propanoic acid
CID 121454859

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[4-[[(2R)-2-cyclopentyl-2-[4-[4-(hydroxymethyl)phenyl]phenyl]ethyl]carbamoyl]phenyl]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[4-[[(2R)-2-cyclopentyl-2-[4-[4-(hydroxymethyl)phenyl]phenyl]ethyl]carbamoyl]phenyl]propanoic acid (CID 121454758) is (2R)-2-amino-3-[4-[[(2R)-2-cyclopentyl-2-[4-[4-(hydroxymethyl)phenyl]phenyl]ethyl]carbamoyl]phenyl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[4-[[(2R)-2-cyclopentyl-2-[4-[4-(hydroxymethyl)phenyl]phenyl]ethyl]carbamoyl]phenyl]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[4-[[(2R)-2-cyclopentyl-2-[4-[4-(hydroxymethyl)phenyl]phenyl]ethyl]carbamoyl]phenyl]propanoic acid is N[C@H](Cc1ccc(C(=O)NC[C@@H](c2ccc(-c3ccc(CO)cc3)cc2)C2CCCC2)cc1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[4-[[(2R)-2-cyclopentyl-2-[4-[4-(hydroxymethyl)phenyl]phenyl]ethyl]carbamoyl]phenyl]propanoic acid?
The InChIKey is UTTVNQKNQLTQMC-VSGBNLITSA-N. The full InChI is InChI=1S/C30H34N2O4/c31-28(30(35)36)17-20-5-11-26(12-6-20)29(34)32-18-27(24-3-1-2-4-24)25-15-13-23(14-16-25)22-9-7-21(19-33)8-10-22/h5-16,24,27-28,33H,1-4,17-19,31H2,(H,32,34)(H,35,36)/t27-,28-/m1/s1.
What are the key properties of (2R)-2-amino-3-[4-[[(2R)-2-cyclopentyl-2-[4-[4-(hydroxymethyl)phenyl]phenyl]ethyl]carbamoyl]phenyl]propanoic acid?
(2R)-2-amino-3-[4-[[(2R)-2-cyclopentyl-2-[4-[4-(hydroxymethyl)phenyl]phenyl]ethyl]carbamoyl]phenyl]propanoic acid has a molecular weight of 486.61 g/mol, XLogP of 4.50, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[4-[[(2R)-2-cyclopentyl-2-[4-[4-(hydroxymethyl)phenyl]phenyl]ethyl]carbamoyl]phenyl]propanoic acid is sourced from PubChem (CID 121454758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).