methyl 3-[(3-aminothiophene-2-carbonyl)amino]-2-hydroxypropanoate

C9H12N2O4S — CID 107211618

IUPACmethyl 3-[(3-aminothiophene-2-carbonyl)amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)c1sccc1N
InChIInChI=1S/C9H12N2O4S/c1-15-9(14)6(12)4-11-8(13)7-5(10)2-3-16-7/h2-3,6,12H,4,10H2,1H3,(H,11,13)
InChIKeyOATSZNJNNZWZGE-UHFFFAOYSA-N
MW244.27 g/mol
LogP-0.41
Rot. Bonds4

About methyl 3-[(3-aminothiophene-2-carbonyl)amino]-2-hydroxypropanoate

methyl 3-[(3-aminothiophene-2-carbonyl)amino]-2-hydroxypropanoate (PubChem CID 107211618) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is methyl 3-[(3-aminothiophene-2-carbonyl)amino]-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-[(3-aminothiophene-2-carbonyl)amino]-2-hydroxypropanoate
PubChem CID107211618
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Namemethyl 3-[(3-aminothiophene-2-carbonyl)amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)c1sccc1N
InChIInChI=1S/C9H12N2O4S/c1-15-9(14)6(12)4-11-8(13)7-5(10)2-3-16-7/h2-3,6,12H,4,10H2,1H3,(H,11,13)
InChIKeyOATSZNJNNZWZGE-UHFFFAOYSA-N
XLogP-0.41
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(3-aminothiophene-2-carbonyl)amino]-2-hydroxypropanoate 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

methyl 2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoate
CID 113344178
methyl 2-hydroxy-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]propanoate
CID 103957822
3-amino-N-(2,3,3-trimethylbutyl)thiophene-2-carboxamide
CID 83142073
N-(2-acetamidoethyl)-3-aminothiophene-2-carboxamide
CID 61092677
2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoic acid
CID 81127121
methyl 3-[(2-amino-4-methoxybenzoyl)amino]-2-hydroxypropanoate
CID 107222746
3-amino-N-(5-methylhexyl)thiophene-2-carboxamide
CID 115324411
methyl (2R)-3-benzamido-2-hydroxypropanoate
CID 100946416
methyl 2-bromo-3-[(3-methylthiophene-2-carbonyl)amino]propanoate
CID 103492454
methyl 2-chloro-3-[(3-chlorothiophene-2-carbonyl)amino]propanoate
CID 103492752
3-amino-N-[(4-ethylcyclohexyl)methyl]thiophene-2-carboxamide
CID 61118488
methyl 3-[(4-amino-3-methoxybenzoyl)amino]-2-hydroxypropanoate
CID 107211629

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-aminothiophene-2-carbonyl)amino]-2-hydroxypropanoate?
The IUPAC name of methyl 3-[(3-aminothiophene-2-carbonyl)amino]-2-hydroxypropanoate (CID 107211618) is methyl 3-[(3-aminothiophene-2-carbonyl)amino]-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-[(3-aminothiophene-2-carbonyl)amino]-2-hydroxypropanoate?
The canonical SMILES for methyl 3-[(3-aminothiophene-2-carbonyl)amino]-2-hydroxypropanoate is COC(=O)C(O)CNC(=O)c1sccc1N.
What is the InChIKey of methyl 3-[(3-aminothiophene-2-carbonyl)amino]-2-hydroxypropanoate?
The InChIKey is OATSZNJNNZWZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-15-9(14)6(12)4-11-8(13)7-5(10)2-3-16-7/h2-3,6,12H,4,10H2,1H3,(H,11,13).
What are the key properties of methyl 3-[(3-aminothiophene-2-carbonyl)amino]-2-hydroxypropanoate?
methyl 3-[(3-aminothiophene-2-carbonyl)amino]-2-hydroxypropanoate has a molecular weight of 244.27 g/mol, XLogP of -0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-aminothiophene-2-carbonyl)amino]-2-hydroxypropanoate is sourced from PubChem (CID 107211618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).