(2S)-2-[(5-acetamidothiophene-2-carbonyl)amino]-4-amino-4-oxobutanoic acid

C11H13N3O5S — CID 63713883

IUPAC(2S)-2-[(5-acetamidothiophene-2-carbonyl)amino]-4-amino-4-oxobutanoic acid
SMILESCC(=O)Nc1ccc(C(=O)N[C@@H](CC(N)=O)C(=O)O)s1
InChIInChI=1S/C11H13N3O5S/c1-5(15)13-9-3-2-7(20-9)10(17)14-6(11(18)19)4-8(12)16/h2-3,6H,4H2,1H3,(H2,12,16)(H,13,15)(H,14,17)(H,18,19)/t6-/m0/s1
InChIKeyOZVDDZSYLGHZFG-LURJTMIESA-N
MW299.31 g/mol
LogP-0.24
Rot. Bonds6

About (2S)-2-[(5-acetamidothiophene-2-carbonyl)amino]-4-amino-4-oxobutanoic acid

(2S)-2-[(5-acetamidothiophene-2-carbonyl)amino]-4-amino-4-oxobutanoic acid (PubChem CID 63713883) has the molecular formula C11H13N3O5S and a molecular weight of 299.31 g/mol. Its IUPAC name is (2S)-2-[(5-acetamidothiophene-2-carbonyl)amino]-4-amino-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-2-[(5-acetamidothiophene-2-carbonyl)amino]-4-amino-4-oxobutanoic acid
PubChem CID63713883
Molecular FormulaC11H13N3O5S
Molecular Weight299.31 g/mol
Exact Mass299.06
IUPAC Name(2S)-2-[(5-acetamidothiophene-2-carbonyl)amino]-4-amino-4-oxobutanoic acid
SMILESCC(=O)Nc1ccc(C(=O)N[C@@H](CC(N)=O)C(=O)O)s1
InChIInChI=1S/C11H13N3O5S/c1-5(15)13-9-3-2-7(20-9)10(17)14-6(11(18)19)4-8(12)16/h2-3,6H,4H2,1H3,(H2,12,16)(H,13,15)(H,14,17)(H,18,19)/t6-/m0/s1
InChIKeyOZVDDZSYLGHZFG-LURJTMIESA-N
XLogP-0.24
TPSA138.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 5-0.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[(5-acetamidothiophene-2-carbonyl)amino]-4-amino-4-oxobutanoic acid with MolForge

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Related Compounds

2-[(2-acetamido-4,5-dimethylthiophene-3-carbonyl)amino]-4-amino-4-oxobutanoic acid
CID 82033351
4-[(5-acetamidothiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 81064594
5-acetamido-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide
CID 115770902
(2R)-4-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid
CID 107821349
5-acetamido-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]thiophene-2-carboxamide
CID 79246233
5-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide
CID 79252074
(2S)-2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-amino-4-oxobutanoic acid
CID 63715392
2-[(5-bromothiophene-2-carbonyl)amino]butanedioic acid
CID 78910337
5-acetamido-N-[1-(4-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 42928444
(2S)-4-amino-2-[(3-ethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid
CID 55229401
2-[(2-acetamidoacetyl)amino]-4-amino-4-oxobutanoic acid
CID 24700920
5-acetamido-N-(1,4-diphenylbutyl)thiophene-2-carboxamide
CID 24655748

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-acetamidothiophene-2-carbonyl)amino]-4-amino-4-oxobutanoic acid?
The IUPAC name of (2S)-2-[(5-acetamidothiophene-2-carbonyl)amino]-4-amino-4-oxobutanoic acid (CID 63713883) is (2S)-2-[(5-acetamidothiophene-2-carbonyl)amino]-4-amino-4-oxobutanoic acid.
What is the SMILES notation for (2S)-2-[(5-acetamidothiophene-2-carbonyl)amino]-4-amino-4-oxobutanoic acid?
The canonical SMILES for (2S)-2-[(5-acetamidothiophene-2-carbonyl)amino]-4-amino-4-oxobutanoic acid is CC(=O)Nc1ccc(C(=O)N[C@@H](CC(N)=O)C(=O)O)s1.
What is the InChIKey of (2S)-2-[(5-acetamidothiophene-2-carbonyl)amino]-4-amino-4-oxobutanoic acid?
The InChIKey is OZVDDZSYLGHZFG-LURJTMIESA-N. The full InChI is InChI=1S/C11H13N3O5S/c1-5(15)13-9-3-2-7(20-9)10(17)14-6(11(18)19)4-8(12)16/h2-3,6H,4H2,1H3,(H2,12,16)(H,13,15)(H,14,17)(H,18,19)/t6-/m0/s1.
What are the key properties of (2S)-2-[(5-acetamidothiophene-2-carbonyl)amino]-4-amino-4-oxobutanoic acid?
(2S)-2-[(5-acetamidothiophene-2-carbonyl)amino]-4-amino-4-oxobutanoic acid has a molecular weight of 299.31 g/mol, XLogP of -0.24, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-acetamidothiophene-2-carbonyl)amino]-4-amino-4-oxobutanoic acid is sourced from PubChem (CID 63713883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).