4-amino-2-[(4-methoxythiophene-2-carbonyl)amino]-4-oxobutanoic acid

C10H12N2O5S — CID 81117804

IUPAC4-amino-2-[(4-methoxythiophene-2-carbonyl)amino]-4-oxobutanoic acid
SMILESCOc1csc(C(=O)NC(CC(N)=O)C(=O)O)c1
InChIInChI=1S/C10H12N2O5S/c1-17-5-2-7(18-4-5)9(14)12-6(10(15)16)3-8(11)13/h2,4,6H,3H2,1H3,(H2,11,13)(H,12,14)(H,15,16)
InChIKeyZPPDIQMJNWBKQF-UHFFFAOYSA-N
MW272.28 g/mol
LogP-0.18
Rot. Bonds6

About 4-amino-2-[(4-methoxythiophene-2-carbonyl)amino]-4-oxobutanoic acid

4-amino-2-[(4-methoxythiophene-2-carbonyl)amino]-4-oxobutanoic acid (PubChem CID 81117804) has the molecular formula C10H12N2O5S and a molecular weight of 272.28 g/mol. Its IUPAC name is 4-amino-2-[(4-methoxythiophene-2-carbonyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[(4-methoxythiophene-2-carbonyl)amino]-4-oxobutanoic acid
PubChem CID81117804
Molecular FormulaC10H12N2O5S
Molecular Weight272.28 g/mol
Exact Mass272.05
IUPAC Name4-amino-2-[(4-methoxythiophene-2-carbonyl)amino]-4-oxobutanoic acid
SMILESCOc1csc(C(=O)NC(CC(N)=O)C(=O)O)c1
InChIInChI=1S/C10H12N2O5S/c1-17-5-2-7(18-4-5)9(14)12-6(10(15)16)3-8(11)13/h2,4,6H,3H2,1H3,(H2,11,13)(H,12,14)(H,15,16)
InChIKeyZPPDIQMJNWBKQF-UHFFFAOYSA-N
XLogP-0.18
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(4-methoxythiophene-2-carbonyl)amino]pentanoic acid
CID 107564238
2-[(4-methoxythiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 81117482
N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-methoxythiophene-2-carboxamide
CID 71865619
N-(4-hydroxybutan-2-yl)-4-methoxythiophene-2-carboxamide
CID 115283653
(2R)-4-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid
CID 107821349
4-methoxy-N-(2-methylpropoxy)thiophene-2-carboxamide
CID 115410128
(2R)-4-amino-2-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-oxobutanoic acid
CID 107821455
N-(2-bromo-1-phenylethyl)-4-methoxythiophene-2-carboxamide
CID 113274725
(2R)-4-amino-2-[(3-chlorothiophene-2-carbonyl)amino]-4-oxobutanoic acid
CID 107821326
4-amino-2-[(3-chlorothiophene-2-carbonyl)amino]-4-oxobutanoic acid
CID 80645014
N-(2-hydroxypropyl)-4-methoxythiophene-2-carboxamide
CID 81121281
(2S)-4-amino-2-[(3-ethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid
CID 55229401

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(4-methoxythiophene-2-carbonyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[(4-methoxythiophene-2-carbonyl)amino]-4-oxobutanoic acid (CID 81117804) is 4-amino-2-[(4-methoxythiophene-2-carbonyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[(4-methoxythiophene-2-carbonyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[(4-methoxythiophene-2-carbonyl)amino]-4-oxobutanoic acid is COc1csc(C(=O)NC(CC(N)=O)C(=O)O)c1.
What is the InChIKey of 4-amino-2-[(4-methoxythiophene-2-carbonyl)amino]-4-oxobutanoic acid?
The InChIKey is ZPPDIQMJNWBKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5S/c1-17-5-2-7(18-4-5)9(14)12-6(10(15)16)3-8(11)13/h2,4,6H,3H2,1H3,(H2,11,13)(H,12,14)(H,15,16).
What are the key properties of 4-amino-2-[(4-methoxythiophene-2-carbonyl)amino]-4-oxobutanoic acid?
4-amino-2-[(4-methoxythiophene-2-carbonyl)amino]-4-oxobutanoic acid has a molecular weight of 272.28 g/mol, XLogP of -0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(4-methoxythiophene-2-carbonyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 81117804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).