4-[[(2R)-1-carboxy-3-(4-phenylphenyl)propan-2-yl]amino]pent-4-enoic acid

C21H23NO4 — CID 90334439

IUPAC4-[[(2R)-1-carboxy-3-(4-phenylphenyl)propan-2-yl]amino]pent-4-enoic acid
SMILESC=C(CCC(=O)O)N[C@@H](CC(=O)O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H23NO4/c1-15(7-12-20(23)24)22-19(14-21(25)26)13-16-8-10-18(11-9-16)17-5-3-2-4-6-17/h2-6,8-11,19,22H,1,7,12-14H2,(H,23,24)(H,25,26)/t19-/m1/s1
InChIKeyTZPXCPVZCZUOJE-LJQANCHMSA-N
MW353.42 g/mol
LogP3.71
Rot. Bonds10

About 4-[[(2R)-1-carboxy-3-(4-phenylphenyl)propan-2-yl]amino]pent-4-enoic acid

4-[[(2R)-1-carboxy-3-(4-phenylphenyl)propan-2-yl]amino]pent-4-enoic acid (PubChem CID 90334439) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 4-[[(2R)-1-carboxy-3-(4-phenylphenyl)propan-2-yl]amino]pent-4-enoic acid.

Molecular Properties

Compound Name4-[[(2R)-1-carboxy-3-(4-phenylphenyl)propan-2-yl]amino]pent-4-enoic acid
PubChem CID90334439
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name4-[[(2R)-1-carboxy-3-(4-phenylphenyl)propan-2-yl]amino]pent-4-enoic acid
SMILESC=C(CCC(=O)O)N[C@@H](CC(=O)O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H23NO4/c1-15(7-12-20(23)24)22-19(14-21(25)26)13-16-8-10-18(11-9-16)17-5-3-2-4-6-17/h2-6,8-11,19,22H,1,7,12-14H2,(H,23,24)(H,25,26)/t19-/m1/s1
InChIKeyTZPXCPVZCZUOJE-LJQANCHMSA-N
XLogP3.71
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[(2R)-1-carboxy-3-(4-phenylphenyl)propan-2-yl]amino]pent-4-enoic 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-[[(2R)-1-carboxy-3-[4-(2-chlorophenyl)phenyl]propan-2-yl]amino]-4-oxobutanoic acid
CID 59607602
4-[[(2R)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-1-(4-phenylphenyl)butan-2-yl]amino]-4-oxobutanoic acid
CID 59607891
(2R)-4-(3-carboxypropanoylamino)-2-methyl-5-(4-phenylphenyl)pentanoic acid
CID 59318462
(3R)-4-(4-phenylphenyl)-3-(pyrimidine-4-carbonylamino)butanoic acid
CID 59607731
5-(4-phenylphenyl)-4-(phosphonomethylamino)pentanoic acid
CID 19427743
(3R)-3-[(5-oxo-4H-1,2,4-oxadiazole-3-carbonyl)amino]-4-(4-phenylphenyl)butanoic acid
CID 135973139
(3R)-3-[(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)amino]-4-(4-phenylphenyl)butanoic acid
CID 59607626
4-[[(2S,4S)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid
CID 122172973
(3S)-4-phenyl-3-(prop-2-enylamino)butanoic acid
CID 95959100
4-[[(2R)-1-[[(2S)-1-amino-1-oxo-3-(4-phenylphenyl)propan-2-yl]amino]-1-oxo-3-thiophen-2-ylpropan-2-yl]amino]pent-4-enamide
CID 143947067
potassium;hydride;(4R)-2-methylidene-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoic acid
CID 173034274
(3R)-3-formyl-4-(4-phenylphenyl)butanoic acid
CID 90334455

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-1-carboxy-3-(4-phenylphenyl)propan-2-yl]amino]pent-4-enoic acid?
The IUPAC name of 4-[[(2R)-1-carboxy-3-(4-phenylphenyl)propan-2-yl]amino]pent-4-enoic acid (CID 90334439) is 4-[[(2R)-1-carboxy-3-(4-phenylphenyl)propan-2-yl]amino]pent-4-enoic acid.
What is the SMILES notation for 4-[[(2R)-1-carboxy-3-(4-phenylphenyl)propan-2-yl]amino]pent-4-enoic acid?
The canonical SMILES for 4-[[(2R)-1-carboxy-3-(4-phenylphenyl)propan-2-yl]amino]pent-4-enoic acid is C=C(CCC(=O)O)N[C@@H](CC(=O)O)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-[[(2R)-1-carboxy-3-(4-phenylphenyl)propan-2-yl]amino]pent-4-enoic acid?
The InChIKey is TZPXCPVZCZUOJE-LJQANCHMSA-N. The full InChI is InChI=1S/C21H23NO4/c1-15(7-12-20(23)24)22-19(14-21(25)26)13-16-8-10-18(11-9-16)17-5-3-2-4-6-17/h2-6,8-11,19,22H,1,7,12-14H2,(H,23,24)(H,25,26)/t19-/m1/s1.
What are the key properties of 4-[[(2R)-1-carboxy-3-(4-phenylphenyl)propan-2-yl]amino]pent-4-enoic acid?
4-[[(2R)-1-carboxy-3-(4-phenylphenyl)propan-2-yl]amino]pent-4-enoic acid has a molecular weight of 353.42 g/mol, XLogP of 3.71, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-1-carboxy-3-(4-phenylphenyl)propan-2-yl]amino]pent-4-enoic acid is sourced from PubChem (CID 90334439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).