(2R)-4-methyl-2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid

C14H22N2O3S — CID 78976302

IUPAC(2R)-4-methyl-2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)N(C)C(C)c1cccs1)C(=O)O
InChIInChI=1S/C14H22N2O3S/c1-9(2)8-11(13(17)18)15-14(19)16(4)10(3)12-6-5-7-20-12/h5-7,9-11H,8H2,1-4H3,(H,15,19)(H,17,18)/t10?,11-/m1/s1
InChIKeyDFCYZNBGVCGJJJ-RRKGBCIJSA-N
MW298.41 g/mol
LogP2.95
Rot. Bonds6

About (2R)-4-methyl-2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid

(2R)-4-methyl-2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid (PubChem CID 78976302) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is (2R)-4-methyl-2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid
PubChem CID78976302
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name(2R)-4-methyl-2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)N(C)C(C)c1cccs1)C(=O)O
InChIInChI=1S/C14H22N2O3S/c1-9(2)8-11(13(17)18)15-14(19)16(4)10(3)12-6-5-7-20-12/h5-7,9-11H,8H2,1-4H3,(H,15,19)(H,17,18)/t10?,11-/m1/s1
InChIKeyDFCYZNBGVCGJJJ-RRKGBCIJSA-N
XLogP2.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-4-methyl-2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]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-hydroxy-2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]butanoic acid
CID 114005529
4-methyl-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid
CID 79487438
2-[(2-amino-2-thiophen-2-ylacetyl)amino]-4-methylpentanoic acid
CID 113279146
4-methyl-2-[[methyl(propan-2-yl)carbamoyl]amino]pentanoic acid
CID 61181963
(2S)-4-methyl-2-(thiophene-2-carbonylamino)pentanoic acid
CID 42150236
2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 61437379
4-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]butanoic acid
CID 54981184
2-[methyl(1-thiophen-2-ylethylcarbamoyl)amino]propanoic acid
CID 62639758
2-[[methyl(pentan-3-yl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
CID 115285250
(2S)-4-methyl-2-[[methyl-(2-methylphenyl)carbamoyl]amino]pentanoic acid
CID 78979220
2-(dimethylcarbamoylamino)-4-methylpentanoic acid
CID 61194019
(2R)-2-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976178

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid (CID 78976302) is (2R)-4-methyl-2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid is CC(C)C[C@@H](NC(=O)N(C)C(C)c1cccs1)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid?
The InChIKey is DFCYZNBGVCGJJJ-RRKGBCIJSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-9(2)8-11(13(17)18)15-14(19)16(4)10(3)12-6-5-7-20-12/h5-7,9-11H,8H2,1-4H3,(H,15,19)(H,17,18)/t10?,11-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid?
(2R)-4-methyl-2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid has a molecular weight of 298.41 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid is sourced from PubChem (CID 78976302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).