3-(carbamoylamino)-3-thiophen-2-ylpropanoic acid

C8H10N2O3S — CID 42930597

IUPAC3-(carbamoylamino)-3-thiophen-2-ylpropanoic acid
SMILESNC(=O)NC(CC(=O)O)c1cccs1
InChIInChI=1S/C8H10N2O3S/c9-8(13)10-5(4-7(11)12)6-2-1-3-14-6/h1-3,5H,4H2,(H,11,12)(H3,9,10,13)
InChIKeyPGIQJSFYODPBMU-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.93
Rot. Bonds4

About 3-(carbamoylamino)-3-thiophen-2-ylpropanoic acid

3-(carbamoylamino)-3-thiophen-2-ylpropanoic acid (PubChem CID 42930597) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 3-(carbamoylamino)-3-thiophen-2-ylpropanoic acid.

Molecular Properties

Compound Name3-(carbamoylamino)-3-thiophen-2-ylpropanoic acid
PubChem CID42930597
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name3-(carbamoylamino)-3-thiophen-2-ylpropanoic acid
SMILESNC(=O)NC(CC(=O)O)c1cccs1
InChIInChI=1S/C8H10N2O3S/c9-8(13)10-5(4-7(11)12)6-2-1-3-14-6/h1-3,5H,4H2,(H,11,12)(H3,9,10,13)
InChIKeyPGIQJSFYODPBMU-UHFFFAOYSA-N
XLogP0.93
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-3-thiophen-2-ylpropanoic acid?
The IUPAC name of 3-(carbamoylamino)-3-thiophen-2-ylpropanoic acid (CID 42930597) is 3-(carbamoylamino)-3-thiophen-2-ylpropanoic acid.
What is the SMILES notation for 3-(carbamoylamino)-3-thiophen-2-ylpropanoic acid?
The canonical SMILES for 3-(carbamoylamino)-3-thiophen-2-ylpropanoic acid is NC(=O)NC(CC(=O)O)c1cccs1.
What is the InChIKey of 3-(carbamoylamino)-3-thiophen-2-ylpropanoic acid?
The InChIKey is PGIQJSFYODPBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c9-8(13)10-5(4-7(11)12)6-2-1-3-14-6/h1-3,5H,4H2,(H,11,12)(H3,9,10,13).
What are the key properties of 3-(carbamoylamino)-3-thiophen-2-ylpropanoic acid?
3-(carbamoylamino)-3-thiophen-2-ylpropanoic acid has a molecular weight of 214.25 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-3-thiophen-2-ylpropanoic acid is sourced from PubChem (CID 42930597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).