3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxy-2-methylpropanoic acid

C13H16N2O5S — CID 66173156

IUPAC3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)c1ccc(NC(=O)C2CC2)s1)C(=O)O
InChIInChI=1S/C13H16N2O5S/c1-13(20,12(18)19)6-14-11(17)8-4-5-9(21-8)15-10(16)7-2-3-7/h4-5,7,20H,2-3,6H2,1H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyBAAIHDZKPCKGNM-UHFFFAOYSA-N
MW312.35 g/mol
LogP0.66
Rot. Bonds6

About 3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxy-2-methylpropanoic acid

3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 66173156) has the molecular formula C13H16N2O5S and a molecular weight of 312.35 g/mol. Its IUPAC name is 3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID66173156
Molecular FormulaC13H16N2O5S
Molecular Weight312.35 g/mol
Exact Mass312.08
IUPAC Name3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)c1ccc(NC(=O)C2CC2)s1)C(=O)O
InChIInChI=1S/C13H16N2O5S/c1-13(20,12(18)19)6-14-11(17)8-4-5-9(21-8)15-10(16)7-2-3-7/h4-5,7,20H,2-3,6H2,1H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyBAAIHDZKPCKGNM-UHFFFAOYSA-N
XLogP0.66
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxy-2-methylpropanoic acid 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

5-(cyclopropanecarbonylamino)-N-[2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide
CID 18162881
5-(cyclopropanecarbonylamino)-N-(3-methylbutyl)thiophene-2-carboxamide
CID 16618806
5-(cyclopropanecarbonylamino)-N-pentan-3-ylthiophene-2-carboxamide
CID 16618817
5-(cyclopropanecarbonylamino)-N-propan-2-ylthiophene-2-carboxamide
CID 18135400
5-(cyclopropanecarbonylamino)-N-pentylthiophene-2-carboxamide
CID 18135456
5-(cyclopropanecarbonylamino)-N-propylthiophene-2-carboxamide
CID 18135776
5-(cyclopropanecarbonylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 18136375
5-(cyclopropanecarbonylamino)-N-(2-methylpropyl)thiophene-2-carboxamide
CID 18136494
N-butyl-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 18136712
5-(cyclopropanecarbonylamino)-N-(3-ethoxypropyl)thiophene-2-carboxamide
CID 18138199
5-(cyclopropanecarbonylamino)-N-[2-(ethylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 18145858
5-(cyclopropanecarbonylamino)-N-(1-methoxypropan-2-yl)thiophene-2-carboxamide
CID 18161199

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxy-2-methylpropanoic acid (CID 66173156) is 3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxy-2-methylpropanoic acid is CC(O)(CNC(=O)c1ccc(NC(=O)C2CC2)s1)C(=O)O.
What is the InChIKey of 3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is BAAIHDZKPCKGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5S/c1-13(20,12(18)19)6-14-11(17)8-4-5-9(21-8)15-10(16)7-2-3-7/h4-5,7,20H,2-3,6H2,1H3,(H,14,17)(H,15,16)(H,18,19).
What are the key properties of 3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxy-2-methylpropanoic acid?
3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 312.35 g/mol, XLogP of 0.66, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 66173156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).