3-[(5-chlorothiophene-2-carbonyl)-cyclopropylamino]propanoic acid

C11H12ClNO3S — CID 60845442

IUPAC3-[(5-chlorothiophene-2-carbonyl)-cyclopropylamino]propanoic acid
SMILESO=C(O)CCN(C(=O)c1ccc(Cl)s1)C1CC1
InChIInChI=1S/C11H12ClNO3S/c12-9-4-3-8(17-9)11(16)13(7-1-2-7)6-5-10(14)15/h3-4,7H,1-2,5-6H2,(H,14,15)
InChIKeySWMWNAMQMFCBPV-UHFFFAOYSA-N
MW273.74 g/mol
LogP2.48
Rot. Bonds5

About 3-[(5-chlorothiophene-2-carbonyl)-cyclopropylamino]propanoic acid

3-[(5-chlorothiophene-2-carbonyl)-cyclopropylamino]propanoic acid (PubChem CID 60845442) has the molecular formula C11H12ClNO3S and a molecular weight of 273.74 g/mol. Its IUPAC name is 3-[(5-chlorothiophene-2-carbonyl)-cyclopropylamino]propanoic acid.

Molecular Properties

Compound Name3-[(5-chlorothiophene-2-carbonyl)-cyclopropylamino]propanoic acid
PubChem CID60845442
Molecular FormulaC11H12ClNO3S
Molecular Weight273.74 g/mol
Exact Mass273.02
IUPAC Name3-[(5-chlorothiophene-2-carbonyl)-cyclopropylamino]propanoic acid
SMILESO=C(O)CCN(C(=O)c1ccc(Cl)s1)C1CC1
InChIInChI=1S/C11H12ClNO3S/c12-9-4-3-8(17-9)11(16)13(7-1-2-7)6-5-10(14)15/h3-4,7H,1-2,5-6H2,(H,14,15)
InChIKeySWMWNAMQMFCBPV-UHFFFAOYSA-N
XLogP2.48
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(2-chloroethyl)-N-cyclohexylthiophene-2-carboxamide
CID 55185888
N-(4-aminocyclohexyl)-5-chloro-N-ethylthiophene-2-carboxamide
CID 79116342
5-chloro-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 104974058
3-(N-(5-chlorothiophene-2-carbonyl)-4-methylanilino)propanoic acid
CID 60830591
3-[1-(5-chlorothiophen-2-yl)ethyl-cyclopropylamino]propanoic acid
CID 65054983
N-(2-amino-2-hydroxyiminoethyl)-5-chloro-N-cyclopentylthiophene-2-carboxamide
CID 77044861
5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 63299732
3-[(4-chloro-2-hydroxybenzoyl)-cyclopropylamino]propanoic acid
CID 60845225
3-[(5-chloro-2-methylbenzoyl)-cyclopropylamino]propanoic acid
CID 82880452
3-[(4-aminobenzoyl)-cyclopropylamino]propanoic acid
CID 61161244
3-[(4-bromo-2-chlorobenzoyl)-cyclopropylamino]propanoic acid
CID 60845778
5-chloro-N-cyclopentyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide
CID 119103011

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorothiophene-2-carbonyl)-cyclopropylamino]propanoic acid?
The IUPAC name of 3-[(5-chlorothiophene-2-carbonyl)-cyclopropylamino]propanoic acid (CID 60845442) is 3-[(5-chlorothiophene-2-carbonyl)-cyclopropylamino]propanoic acid.
What is the SMILES notation for 3-[(5-chlorothiophene-2-carbonyl)-cyclopropylamino]propanoic acid?
The canonical SMILES for 3-[(5-chlorothiophene-2-carbonyl)-cyclopropylamino]propanoic acid is O=C(O)CCN(C(=O)c1ccc(Cl)s1)C1CC1.
What is the InChIKey of 3-[(5-chlorothiophene-2-carbonyl)-cyclopropylamino]propanoic acid?
The InChIKey is SWMWNAMQMFCBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3S/c12-9-4-3-8(17-9)11(16)13(7-1-2-7)6-5-10(14)15/h3-4,7H,1-2,5-6H2,(H,14,15).
What are the key properties of 3-[(5-chlorothiophene-2-carbonyl)-cyclopropylamino]propanoic acid?
3-[(5-chlorothiophene-2-carbonyl)-cyclopropylamino]propanoic acid has a molecular weight of 273.74 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chlorothiophene-2-carbonyl)-cyclopropylamino]propanoic acid is sourced from PubChem (CID 60845442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).