(2R)-3-methyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]butanoic acid

C11H15NO3S2 — CID 79010943

IUPAC(2R)-3-methyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]butanoic acid
SMILESCC(C)[C@@H](NC(=O)CSc1cccs1)C(=O)O
InChIInChI=1S/C11H15NO3S2/c1-7(2)10(11(14)15)12-8(13)6-17-9-4-3-5-16-9/h3-5,7,10H,6H2,1-2H3,(H,12,13)(H,14,15)/t10-/m1/s1
InChIKeyBVGMQYLYFSJWBO-SNVBAGLBSA-N
MW273.38 g/mol
LogP2.07
Rot. Bonds6

About (2R)-3-methyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]butanoic acid

(2R)-3-methyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]butanoic acid (PubChem CID 79010943) has the molecular formula C11H15NO3S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (2R)-3-methyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]butanoic acid
PubChem CID79010943
Molecular FormulaC11H15NO3S2
Molecular Weight273.38 g/mol
Exact Mass273.05
IUPAC Name(2R)-3-methyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]butanoic acid
SMILESCC(C)[C@@H](NC(=O)CSc1cccs1)C(=O)O
InChIInChI=1S/C11H15NO3S2/c1-7(2)10(11(14)15)12-8(13)6-17-9-4-3-5-16-9/h3-5,7,10H,6H2,1-2H3,(H,12,13)(H,14,15)/t10-/m1/s1
InChIKeyBVGMQYLYFSJWBO-SNVBAGLBSA-N
XLogP2.07
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-3-methyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]butanoic 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-[(2-thiophen-2-ylsulfanylacetyl)amino]propanoic acid
CID 61131354
N-(1-hydroxypropan-2-yl)-2-thiophen-2-ylsulfanylacetamide
CID 43427808
2-phenyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]acetic acid
CID 43358392
(2S)-4-hydroxy-2-[(2-thiophen-2-ylsulfanylacetyl)amino]butanoic acid
CID 107821680
4-hydroxy-2-[(2-thiophen-2-ylsulfanylacetyl)amino]butanoic acid
CID 61244401
(2R)-5-methoxy-5-oxo-2-[(2-thiophen-2-ylsulfanylacetyl)amino]pentanoic acid
CID 107820540
(2S)-5-ethoxy-5-oxo-2-[(2-thiophen-2-ylsulfanylacetyl)amino]pentanoic acid
CID 107039101
(2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-3-methylbutanoic acid
CID 79011185
2-[[(2-thiophen-2-ylsulfanylacetyl)amino]methyl]pentanoic acid
CID 65223064
3-[ethyl-(2-thiophen-2-ylsulfanylacetyl)amino]-2-methylpropanoic acid
CID 62827236
N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylsulfanylacetamide
CID 35262137
1-thiophen-2-ylsulfanylpropan-2-one
CID 521033

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]butanoic acid (CID 79010943) is (2R)-3-methyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]butanoic acid is CC(C)[C@@H](NC(=O)CSc1cccs1)C(=O)O.
What is the InChIKey of (2R)-3-methyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]butanoic acid?
The InChIKey is BVGMQYLYFSJWBO-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15NO3S2/c1-7(2)10(11(14)15)12-8(13)6-17-9-4-3-5-16-9/h3-5,7,10H,6H2,1-2H3,(H,12,13)(H,14,15)/t10-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]butanoic acid?
(2R)-3-methyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]butanoic acid has a molecular weight of 273.38 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]butanoic acid is sourced from PubChem (CID 79010943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).