5-[2-(carbamoylamino)propanoylamino]-3-methylthiophene-2-carboxylic acid

C10H13N3O4S — CID 43356554

IUPAC5-[2-(carbamoylamino)propanoylamino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)C(C)NC(N)=O)sc1C(=O)O
InChIInChI=1S/C10H13N3O4S/c1-4-3-6(18-7(4)9(15)16)13-8(14)5(2)12-10(11)17/h3,5H,1-2H3,(H,13,14)(H,15,16)(H3,11,12,17)
InChIKeySLFCDRRTGMVVBG-UHFFFAOYSA-N
MW271.30 g/mol
LogP0.75
Rot. Bonds4

About 5-[2-(carbamoylamino)propanoylamino]-3-methylthiophene-2-carboxylic acid

5-[2-(carbamoylamino)propanoylamino]-3-methylthiophene-2-carboxylic acid (PubChem CID 43356554) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is 5-[2-(carbamoylamino)propanoylamino]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(carbamoylamino)propanoylamino]-3-methylthiophene-2-carboxylic acid
PubChem CID43356554
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC Name5-[2-(carbamoylamino)propanoylamino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)C(C)NC(N)=O)sc1C(=O)O
InChIInChI=1S/C10H13N3O4S/c1-4-3-6(18-7(4)9(15)16)13-8(14)5(2)12-10(11)17/h3,5H,1-2H3,(H,13,14)(H,15,16)(H3,11,12,17)
InChIKeySLFCDRRTGMVVBG-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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Frequently Asked Questions

What is the IUPAC name of 5-[2-(carbamoylamino)propanoylamino]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[2-(carbamoylamino)propanoylamino]-3-methylthiophene-2-carboxylic acid (CID 43356554) is 5-[2-(carbamoylamino)propanoylamino]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[2-(carbamoylamino)propanoylamino]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[2-(carbamoylamino)propanoylamino]-3-methylthiophene-2-carboxylic acid is Cc1cc(NC(=O)C(C)NC(N)=O)sc1C(=O)O.
What is the InChIKey of 5-[2-(carbamoylamino)propanoylamino]-3-methylthiophene-2-carboxylic acid?
The InChIKey is SLFCDRRTGMVVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S/c1-4-3-6(18-7(4)9(15)16)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 5-[2-(carbamoylamino)propanoylamino]-3-methylthiophene-2-carboxylic acid?
5-[2-(carbamoylamino)propanoylamino]-3-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 5-[2-(carbamoylamino)propanoylamino]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 43356554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).