(2R)-4-methyl-2-[[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]pentanoic acid

C20H24N2O4S — CID 119364594

IUPAC(2R)-4-methyl-2-[[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)C(Cc1ccccc1)NC(=O)c1cccs1)C(=O)O
InChIInChI=1S/C20H24N2O4S/c1-13(2)11-16(20(25)26)22-18(23)15(12-14-7-4-3-5-8-14)21-19(24)17-9-6-10-27-17/h3-10,13,15-16H,11-12H2,1-2H3,(H,21,24)(H,22,23)(H,25,26)/t15?,16-/m1/s1
InChIKeyKEWCHWPSYSGGAG-OEMAIJDKSA-N
MW388.49 g/mol
LogP2.70
Rot. Bonds9

About (2R)-4-methyl-2-[[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]pentanoic acid

(2R)-4-methyl-2-[[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]pentanoic acid (PubChem CID 119364594) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is (2R)-4-methyl-2-[[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]pentanoic acid
PubChem CID119364594
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name(2R)-4-methyl-2-[[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)C(Cc1ccccc1)NC(=O)c1cccs1)C(=O)O
InChIInChI=1S/C20H24N2O4S/c1-13(2)11-16(20(25)26)22-18(23)15(12-14-7-4-3-5-8-14)21-19(24)17-9-6-10-27-17/h3-10,13,15-16H,11-12H2,1-2H3,(H,21,24)(H,22,23)(H,25,26)/t15?,16-/m1/s1
InChIKeyKEWCHWPSYSGGAG-OEMAIJDKSA-N
XLogP2.70
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-4-methyl-2-[[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]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

(2S)-4-methyl-2-(thiophene-2-carbonylamino)pentanoic acid
CID 42150236
(2S)-2-[[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]hexanoic acid
CID 120615307
(2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]-4-methylpentanoic acid
CID 7324596
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
CID 145459014
N-[1-(1-hydroxybutan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 110878206
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
CID 145457847
2-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 18223252
N-[1-[1-(4-ethylphenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 112762250
2-[[2-[[2-(2-aminopropanoylamino)-3-phenylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoic acid
CID 18237827
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
CID 175809677
4-methyl-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid
CID 5197370
2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
CID 22656340

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]pentanoic acid (CID 119364594) is (2R)-4-methyl-2-[[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]pentanoic acid is CC(C)C[C@@H](NC(=O)C(Cc1ccccc1)NC(=O)c1cccs1)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]pentanoic acid?
The InChIKey is KEWCHWPSYSGGAG-OEMAIJDKSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-13(2)11-16(20(25)26)22-18(23)15(12-14-7-4-3-5-8-14)21-19(24)17-9-6-10-27-17/h3-10,13,15-16H,11-12H2,1-2H3,(H,21,24)(H,22,23)(H,25,26)/t15?,16-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]pentanoic acid?
(2R)-4-methyl-2-[[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]pentanoic acid has a molecular weight of 388.49 g/mol, XLogP of 2.70, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]pentanoic acid is sourced from PubChem (CID 119364594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).