(3R)-3-[(3-ethylthiophene-2-carbonyl)amino]butanoic acid

C11H15NO3S — CID 138038047

IUPAC(3R)-3-[(3-ethylthiophene-2-carbonyl)amino]butanoic acid
SMILESCCc1ccsc1C(=O)N[C@H](C)CC(=O)O
InChIInChI=1S/C11H15NO3S/c1-3-8-4-5-16-10(8)11(15)12-7(2)6-9(13)14/h4-5,7H,3,6H2,1-2H3,(H,12,15)(H,13,14)/t7-/m1/s1
InChIKeyORJUFSSYTRWSFP-SSDOTTSWSA-N
MW241.31 g/mol
LogP1.90
Rot. Bonds5

About (3R)-3-[(3-ethylthiophene-2-carbonyl)amino]butanoic acid

(3R)-3-[(3-ethylthiophene-2-carbonyl)amino]butanoic acid (PubChem CID 138038047) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is (3R)-3-[(3-ethylthiophene-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(3R)-3-[(3-ethylthiophene-2-carbonyl)amino]butanoic acid
PubChem CID138038047
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name(3R)-3-[(3-ethylthiophene-2-carbonyl)amino]butanoic acid
SMILESCCc1ccsc1C(=O)N[C@H](C)CC(=O)O
InChIInChI=1S/C11H15NO3S/c1-3-8-4-5-16-10(8)11(15)12-7(2)6-9(13)14/h4-5,7H,3,6H2,1-2H3,(H,12,15)(H,13,14)/t7-/m1/s1
InChIKeyORJUFSSYTRWSFP-SSDOTTSWSA-N
XLogP1.90
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3-ethylthiophene-2-carbonyl)amino]butanoic acid?
The IUPAC name of (3R)-3-[(3-ethylthiophene-2-carbonyl)amino]butanoic acid (CID 138038047) is (3R)-3-[(3-ethylthiophene-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for (3R)-3-[(3-ethylthiophene-2-carbonyl)amino]butanoic acid?
The canonical SMILES for (3R)-3-[(3-ethylthiophene-2-carbonyl)amino]butanoic acid is CCc1ccsc1C(=O)N[C@H](C)CC(=O)O.
What is the InChIKey of (3R)-3-[(3-ethylthiophene-2-carbonyl)amino]butanoic acid?
The InChIKey is ORJUFSSYTRWSFP-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-3-8-4-5-16-10(8)11(15)12-7(2)6-9(13)14/h4-5,7H,3,6H2,1-2H3,(H,12,15)(H,13,14)/t7-/m1/s1.
What are the key properties of (3R)-3-[(3-ethylthiophene-2-carbonyl)amino]butanoic acid?
(3R)-3-[(3-ethylthiophene-2-carbonyl)amino]butanoic acid has a molecular weight of 241.31 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3-ethylthiophene-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 138038047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).