3-[2-(carbamoylamino)propanoylamino]-4-methylthiophene-2-carboxylic acid

C10H13N3O4S — CID 114914665

IUPAC3-[2-(carbamoylamino)propanoylamino]-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1NC(=O)C(C)NC(N)=O
InChIInChI=1S/C10H13N3O4S/c1-4-3-18-7(9(15)16)6(4)13-8(14)5(2)12-10(11)17/h3,5H,1-2H3,(H,13,14)(H,15,16)(H3,11,12,17)
InChIKeyTWZMNWCQMZTUJM-UHFFFAOYSA-N
MW271.30 g/mol
LogP0.75
Rot. Bonds4

About 3-[2-(carbamoylamino)propanoylamino]-4-methylthiophene-2-carboxylic acid

3-[2-(carbamoylamino)propanoylamino]-4-methylthiophene-2-carboxylic acid (PubChem CID 114914665) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is 3-[2-(carbamoylamino)propanoylamino]-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-(carbamoylamino)propanoylamino]-4-methylthiophene-2-carboxylic acid
PubChem CID114914665
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC Name3-[2-(carbamoylamino)propanoylamino]-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1NC(=O)C(C)NC(N)=O
InChIInChI=1S/C10H13N3O4S/c1-4-3-18-7(9(15)16)6(4)13-8(14)5(2)12-10(11)17/h3,5H,1-2H3,(H,13,14)(H,15,16)(H3,11,12,17)
InChIKeyTWZMNWCQMZTUJM-UHFFFAOYSA-N
XLogP0.75
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 50.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-[(3-methyl-2-propan-2-ylbutanoyl)amino]thiophene-2-carboxylic acid
CID 114282186
5-[2-(carbamoylamino)propanoylamino]-3-methylthiophene-2-carboxylic acid
CID 43356554
4-methyl-3-[(2-propan-2-ylsulfanylacetyl)amino]thiophene-2-carboxylic acid
CID 114914709
4-methyl-3-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid
CID 114914762
2-[2-(carbamoylamino)propanoylamino]-3,6-dichlorobenzoic acid
CID 107048182
3-[[2-(dimethylamino)acetyl]amino]-4-methylthiophene-2-carboxylic acid
CID 114914681
3-[(3,5-dimethylbenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914554
3-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]-4-methylthiophene-2-carboxylic acid
CID 114914797
methyl 3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylthiophene-2-carboxylate
CID 104983078
2-[2-(carbamoylamino)propanoylamino]-3,5-dichlorobenzoic acid
CID 43360187
methyl 3-[2-(butylamino)propanoylamino]-4-methylthiophene-2-carboxylate
CID 71587156
2-[2-(carbamoylamino)propanoylamino]-4-methoxybenzoic acid
CID 115411113

Frequently Asked Questions

What is the IUPAC name of 3-[2-(carbamoylamino)propanoylamino]-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-[2-(carbamoylamino)propanoylamino]-4-methylthiophene-2-carboxylic acid (CID 114914665) is 3-[2-(carbamoylamino)propanoylamino]-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[2-(carbamoylamino)propanoylamino]-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[2-(carbamoylamino)propanoylamino]-4-methylthiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1NC(=O)C(C)NC(N)=O.
What is the InChIKey of 3-[2-(carbamoylamino)propanoylamino]-4-methylthiophene-2-carboxylic acid?
The InChIKey is TWZMNWCQMZTUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S/c1-4-3-18-7(9(15)16)6(4)13-8(14)5(2)12-10(11)17/h3,5H,1-2H3,(H,13,14)(H,15,16)(H3,11,12,17).
What are the key properties of 3-[2-(carbamoylamino)propanoylamino]-4-methylthiophene-2-carboxylic acid?
3-[2-(carbamoylamino)propanoylamino]-4-methylthiophene-2-carboxylic acid has a molecular weight of 271.30 g/mol, XLogP of 0.75, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(carbamoylamino)propanoylamino]-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 114914665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).