3-(thiophen-3-ylmethylcarbamoylamino)propanoic acid

C9H12N2O3S — CID 63244721

IUPAC3-(thiophen-3-ylmethylcarbamoylamino)propanoic acid
SMILESO=C(O)CCNC(=O)NCc1ccsc1
InChIInChI=1S/C9H12N2O3S/c12-8(13)1-3-10-9(14)11-5-7-2-4-15-6-7/h2,4,6H,1,3,5H2,(H,12,13)(H2,10,11,14)
InChIKeyWBXATUVOGMJQPS-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.02
Rot. Bonds5

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

3-(thiophen-3-ylmethylcarbamoylamino)propanoic acid (PubChem CID 63244721) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 3-(thiophen-3-ylmethylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name3-(thiophen-3-ylmethylcarbamoylamino)propanoic acid
PubChem CID63244721
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name3-(thiophen-3-ylmethylcarbamoylamino)propanoic acid
SMILESO=C(O)CCNC(=O)NCc1ccsc1
InChIInChI=1S/C9H12N2O3S/c12-8(13)1-3-10-9(14)11-5-7-2-4-15-6-7/h2,4,6H,1,3,5H2,(H,12,13)(H2,10,11,14)
InChIKeyWBXATUVOGMJQPS-UHFFFAOYSA-N
XLogP1.02
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-(thiophen-3-ylmethylcarbamoylamino)hexanoic acid
CID 63244762
7-(thiophen-3-ylmethylcarbamoylamino)heptanoic acid
CID 63244412
2-(thiophen-3-ylmethylcarbamoylamino)pentanedioic acid
CID 55175256
1-prop-2-ynyl-3-(thiophen-3-ylmethyl)urea
CID 130682664
3-(methylamino)-N-(thiophen-3-ylmethyl)propanamide
CID 63246869
1-(2-piperidin-1-ylethyl)-3-(thiophen-3-ylmethyl)urea
CID 47247061
2-[2-(thiophen-3-ylmethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373008
5-[(thiophen-3-ylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81095921
3-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
CID 16794949
5-oxo-5-(2-thiophen-3-ylethylcarbamoylamino)pentanoic acid
CID 61477594
2-[1-(thiophen-3-ylmethylcarbamoylamino)cyclopentyl]acetic acid
CID 64700143
5-[(2-thiophen-3-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81090537

Frequently Asked Questions

What is the IUPAC name of 3-(thiophen-3-ylmethylcarbamoylamino)propanoic acid?
The IUPAC name of 3-(thiophen-3-ylmethylcarbamoylamino)propanoic acid (CID 63244721) is 3-(thiophen-3-ylmethylcarbamoylamino)propanoic acid.
What is the SMILES notation for 3-(thiophen-3-ylmethylcarbamoylamino)propanoic acid?
The canonical SMILES for 3-(thiophen-3-ylmethylcarbamoylamino)propanoic acid is O=C(O)CCNC(=O)NCc1ccsc1.
What is the InChIKey of 3-(thiophen-3-ylmethylcarbamoylamino)propanoic acid?
The InChIKey is WBXATUVOGMJQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c12-8(13)1-3-10-9(14)11-5-7-2-4-15-6-7/h2,4,6H,1,3,5H2,(H,12,13)(H2,10,11,14).
What are the key properties of 3-(thiophen-3-ylmethylcarbamoylamino)propanoic acid?
3-(thiophen-3-ylmethylcarbamoylamino)propanoic acid has a molecular weight of 228.27 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-3-ylmethylcarbamoylamino)propanoic acid is sourced from PubChem (CID 63244721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).