(2R)-4-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid

C11H14N2O4S — CID 107821349

IUPAC(2R)-4-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid
SMILESCc1cc(C(=O)N[C@H](CC(N)=O)C(=O)O)sc1C
InChIInChI=1S/C11H14N2O4S/c1-5-3-8(18-6(5)2)10(15)13-7(11(16)17)4-9(12)14/h3,7H,4H2,1-2H3,(H2,12,14)(H,13,15)(H,16,17)/t7-/m1/s1
InChIKeyCTUZGHLYBKRBIK-SSDOTTSWSA-N
MW270.31 g/mol
LogP0.42
Rot. Bonds5

About (2R)-4-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid

(2R)-4-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid (PubChem CID 107821349) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is (2R)-4-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid
PubChem CID107821349
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name(2R)-4-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid
SMILESCc1cc(C(=O)N[C@H](CC(N)=O)C(=O)O)sc1C
InChIInChI=1S/C11H14N2O4S/c1-5-3-8(18-6(5)2)10(15)13-7(11(16)17)4-9(12)14/h3,7H,4H2,1-2H3,(H2,12,14)(H,13,15)(H,16,17)/t7-/m1/s1
InChIKeyCTUZGHLYBKRBIK-SSDOTTSWSA-N
XLogP0.42
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-4-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid with MolForge

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Related Compounds

(2S)-2-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 61153074
(2R)-2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4-methylpentanoic acid
CID 78975741
2-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 43170130
(2S)-2-[(4,5-dimethylthiophene-2-carbonyl)amino]propanoic acid
CID 61132299
(2R)-2-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 79010793
(2S)-2-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 61137175
(2R)-4-amino-2-[(4-methylthiophene-3-carbonyl)amino]-4-oxobutanoic acid
CID 107821224
2-[(2-acetamido-4,5-dimethylthiophene-3-carbonyl)amino]-4-amino-4-oxobutanoic acid
CID 82033351
(2S)-2-[(5-acetamidothiophene-2-carbonyl)amino]-4-amino-4-oxobutanoic acid
CID 63713883
N-(1-amino-1-sulfanylidenepentan-3-yl)-4,5-dimethylthiophene-2-carboxamide
CID 65239054
(2R)-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]butanoic acid
CID 79981541
2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]butanoic acid
CID 79981900

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid (CID 107821349) is (2R)-4-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid is Cc1cc(C(=O)N[C@H](CC(N)=O)C(=O)O)sc1C.
What is the InChIKey of (2R)-4-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid?
The InChIKey is CTUZGHLYBKRBIK-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-5-3-8(18-6(5)2)10(15)13-7(11(16)17)4-9(12)14/h3,7H,4H2,1-2H3,(H2,12,14)(H,13,15)(H,16,17)/t7-/m1/s1.
What are the key properties of (2R)-4-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid?
(2R)-4-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid has a molecular weight of 270.31 g/mol, XLogP of 0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 107821349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).