2-methyl-3-(thiophen-3-ylmethylcarbamoylamino)propanoic acid

C10H14N2O3S — CID 63244228

IUPAC2-methyl-3-(thiophen-3-ylmethylcarbamoylamino)propanoic acid
SMILESCC(CNC(=O)NCc1ccsc1)C(=O)O
InChIInChI=1S/C10H14N2O3S/c1-7(9(13)14)4-11-10(15)12-5-8-2-3-16-6-8/h2-3,6-7H,4-5H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeySIVWTOKROOERTP-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.27
Rot. Bonds5

About 2-methyl-3-(thiophen-3-ylmethylcarbamoylamino)propanoic acid

2-methyl-3-(thiophen-3-ylmethylcarbamoylamino)propanoic acid (PubChem CID 63244228) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-methyl-3-(thiophen-3-ylmethylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(thiophen-3-ylmethylcarbamoylamino)propanoic acid
PubChem CID63244228
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name2-methyl-3-(thiophen-3-ylmethylcarbamoylamino)propanoic acid
SMILESCC(CNC(=O)NCc1ccsc1)C(=O)O
InChIInChI=1S/C10H14N2O3S/c1-7(9(13)14)4-11-10(15)12-5-8-2-3-16-6-8/h2-3,6-7H,4-5H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeySIVWTOKROOERTP-UHFFFAOYSA-N
XLogP1.27
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(thiophen-3-ylmethylcarbamoylamino)propanoic acid?
The IUPAC name of 2-methyl-3-(thiophen-3-ylmethylcarbamoylamino)propanoic acid (CID 63244228) is 2-methyl-3-(thiophen-3-ylmethylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-methyl-3-(thiophen-3-ylmethylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-methyl-3-(thiophen-3-ylmethylcarbamoylamino)propanoic acid is CC(CNC(=O)NCc1ccsc1)C(=O)O.
What is the InChIKey of 2-methyl-3-(thiophen-3-ylmethylcarbamoylamino)propanoic acid?
The InChIKey is SIVWTOKROOERTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-7(9(13)14)4-11-10(15)12-5-8-2-3-16-6-8/h2-3,6-7H,4-5H2,1H3,(H,13,14)(H2,11,12,15).
What are the key properties of 2-methyl-3-(thiophen-3-ylmethylcarbamoylamino)propanoic acid?
2-methyl-3-(thiophen-3-ylmethylcarbamoylamino)propanoic acid has a molecular weight of 242.30 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(thiophen-3-ylmethylcarbamoylamino)propanoic acid is sourced from PubChem (CID 63244228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).