3-[2-hydroxyethyl(thiophene-2-carbonyl)amino]propanoic acid

C10H13NO4S — CID 82324429

IUPAC3-[2-hydroxyethyl(thiophene-2-carbonyl)amino]propanoic acid
SMILESO=C(O)CCN(CCO)C(=O)c1cccs1
InChIInChI=1S/C10H13NO4S/c12-6-5-11(4-3-9(13)14)10(15)8-2-1-7-16-8/h1-2,7,12H,3-6H2,(H,13,14)
InChIKeySJKCSMLTVGXMGO-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.66
Rot. Bonds6

About 3-[2-hydroxyethyl(thiophene-2-carbonyl)amino]propanoic acid

3-[2-hydroxyethyl(thiophene-2-carbonyl)amino]propanoic acid (PubChem CID 82324429) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(thiophene-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-hydroxyethyl(thiophene-2-carbonyl)amino]propanoic acid
PubChem CID82324429
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name3-[2-hydroxyethyl(thiophene-2-carbonyl)amino]propanoic acid
SMILESO=C(O)CCN(CCO)C(=O)c1cccs1
InChIInChI=1S/C10H13NO4S/c12-6-5-11(4-3-9(13)14)10(15)8-2-1-7-16-8/h1-2,7,12H,3-6H2,(H,13,14)
InChIKeySJKCSMLTVGXMGO-UHFFFAOYSA-N
XLogP0.66
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[prop-2-enyl(thiophene-2-carbonyl)amino]propanoic acid
CID 82324441
2-[2-carboxyethyl(thiophene-2-carbonyl)amino]pentanoic acid
CID 82324463
N,N-diethylthiophene-2-carboxamide
CID 962897
3-[ethyl-[2-(thiophene-2-carbonyl)benzoyl]amino]propanoic acid
CID 100650340
N-heptyl-N-octylthiophene-2-carboxamide
CID 532904
3-[(2-chlorobenzoyl)-(2-hydroxyethyl)amino]propanoic acid
CID 82325307
3-[2-hydroxyethyl-(2-methylbenzoyl)amino]propanoic acid
CID 82324584
N-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 60653313
CID 69259223
CID 69259223
N-[3-[2-hydroxyethyl(2-methoxyethyl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 115902337
3-[(2-fluorobenzoyl)-(2-hydroxyethyl)amino]propanoic acid
CID 82324750
N-(3-amino-3-sulfanylidenepropyl)-N-butylthiophene-2-carboxamide
CID 82103657

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(thiophene-2-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[2-hydroxyethyl(thiophene-2-carbonyl)amino]propanoic acid (CID 82324429) is 3-[2-hydroxyethyl(thiophene-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-hydroxyethyl(thiophene-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[2-hydroxyethyl(thiophene-2-carbonyl)amino]propanoic acid is O=C(O)CCN(CCO)C(=O)c1cccs1.
What is the InChIKey of 3-[2-hydroxyethyl(thiophene-2-carbonyl)amino]propanoic acid?
The InChIKey is SJKCSMLTVGXMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c12-6-5-11(4-3-9(13)14)10(15)8-2-1-7-16-8/h1-2,7,12H,3-6H2,(H,13,14).
What are the key properties of 3-[2-hydroxyethyl(thiophene-2-carbonyl)amino]propanoic acid?
3-[2-hydroxyethyl(thiophene-2-carbonyl)amino]propanoic acid has a molecular weight of 243.28 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(thiophene-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 82324429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).