(2R)-4-amino-2-[(4-methylthiophene-3-carbonyl)amino]-4-oxobutanoic acid

C10H12N2O4S — CID 107821224

IUPAC(2R)-4-amino-2-[(4-methylthiophene-3-carbonyl)amino]-4-oxobutanoic acid
SMILESCc1cscc1C(=O)N[C@H](CC(N)=O)C(=O)O
InChIInChI=1S/C10H12N2O4S/c1-5-3-17-4-6(5)9(14)12-7(10(15)16)2-8(11)13/h3-4,7H,2H2,1H3,(H2,11,13)(H,12,14)(H,15,16)/t7-/m1/s1
InChIKeyKTPGASWMJLBBIZ-SSDOTTSWSA-N
MW256.28 g/mol
LogP0.11
Rot. Bonds5

About (2R)-4-amino-2-[(4-methylthiophene-3-carbonyl)amino]-4-oxobutanoic acid

(2R)-4-amino-2-[(4-methylthiophene-3-carbonyl)amino]-4-oxobutanoic acid (PubChem CID 107821224) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is (2R)-4-amino-2-[(4-methylthiophene-3-carbonyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-[(4-methylthiophene-3-carbonyl)amino]-4-oxobutanoic acid
PubChem CID107821224
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name(2R)-4-amino-2-[(4-methylthiophene-3-carbonyl)amino]-4-oxobutanoic acid
SMILESCc1cscc1C(=O)N[C@H](CC(N)=O)C(=O)O
InChIInChI=1S/C10H12N2O4S/c1-5-3-17-4-6(5)9(14)12-7(10(15)16)2-8(11)13/h3-4,7H,2H2,1H3,(H2,11,13)(H,12,14)(H,15,16)/t7-/m1/s1
InChIKeyKTPGASWMJLBBIZ-SSDOTTSWSA-N
XLogP0.11
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-hydroxy-2-[(4-methylthiophene-3-carbonyl)amino]butanoic acid
CID 107823187
(2R)-4-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid
CID 107821349
(2R)-4-amino-2-[(4-fluoro-2-methylbenzoyl)amino]-4-oxobutanoic acid
CID 107821566
(2R)-4-amino-2-[(5-fluoro-2-methylbenzoyl)amino]-4-oxobutanoic acid
CID 94994061
3-(1H-imidazol-5-yl)-2-[(4-methylthiophene-3-carbonyl)amino]propanoic acid
CID 79803400
N-(1-amino-1-sulfanylidenepropan-2-yl)-4-methylthiophene-3-carboxamide
CID 79802281
(2R)-4-amino-2-[(2-fluoro-4-methylbenzoyl)amino]-4-oxobutanoic acid
CID 107821559
(2S)-4-amino-2-[(2-bromo-5-methylbenzoyl)amino]-4-oxobutanoic acid
CID 81109716
(2R)-4-amino-2-[(2-chlorobenzoyl)amino]-4-oxobutanoic acid
CID 2302928
(2R)-4-amino-2-[(4-chlorobenzoyl)amino]-4-oxobutanoic acid
CID 7062801
(2S)-4-amino-2-[(2,5-dichlorobenzoyl)amino]-4-oxobutanoic acid
CID 29282640
4-amino-2-[(5-methylfuran-2-carbonyl)amino]-4-oxobutanoic acid
CID 43183438

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-[(4-methylthiophene-3-carbonyl)amino]-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-[(4-methylthiophene-3-carbonyl)amino]-4-oxobutanoic acid (CID 107821224) is (2R)-4-amino-2-[(4-methylthiophene-3-carbonyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-[(4-methylthiophene-3-carbonyl)amino]-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-[(4-methylthiophene-3-carbonyl)amino]-4-oxobutanoic acid is Cc1cscc1C(=O)N[C@H](CC(N)=O)C(=O)O.
What is the InChIKey of (2R)-4-amino-2-[(4-methylthiophene-3-carbonyl)amino]-4-oxobutanoic acid?
The InChIKey is KTPGASWMJLBBIZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12N2O4S/c1-5-3-17-4-6(5)9(14)12-7(10(15)16)2-8(11)13/h3-4,7H,2H2,1H3,(H2,11,13)(H,12,14)(H,15,16)/t7-/m1/s1.
What are the key properties of (2R)-4-amino-2-[(4-methylthiophene-3-carbonyl)amino]-4-oxobutanoic acid?
(2R)-4-amino-2-[(4-methylthiophene-3-carbonyl)amino]-4-oxobutanoic acid has a molecular weight of 256.28 g/mol, XLogP of 0.11, 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-methylthiophene-3-carbonyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 107821224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).