1-[(5-chlorothiophene-2-carbonyl)amino]cyclopropane-1-carboxylic acid

C9H8ClNO3S — CID 65450610

IUPAC1-[(5-chlorothiophene-2-carbonyl)amino]cyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1)c1ccc(Cl)s1
InChIInChI=1S/C9H8ClNO3S/c10-6-2-1-5(15-6)7(12)11-9(3-4-9)8(13)14/h1-2H,3-4H2,(H,11,12)(H,13,14)
InChIKeyWOOQOSZKOUUINM-UHFFFAOYSA-N
MW245.69 g/mol
LogP1.75
Rot. Bonds3

About 1-[(5-chlorothiophene-2-carbonyl)amino]cyclopropane-1-carboxylic acid

1-[(5-chlorothiophene-2-carbonyl)amino]cyclopropane-1-carboxylic acid (PubChem CID 65450610) has the molecular formula C9H8ClNO3S and a molecular weight of 245.69 g/mol. Its IUPAC name is 1-[(5-chlorothiophene-2-carbonyl)amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-chlorothiophene-2-carbonyl)amino]cyclopropane-1-carboxylic acid
PubChem CID65450610
Molecular FormulaC9H8ClNO3S
Molecular Weight245.69 g/mol
Exact Mass244.99
IUPAC Name1-[(5-chlorothiophene-2-carbonyl)amino]cyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1)c1ccc(Cl)s1
InChIInChI=1S/C9H8ClNO3S/c10-6-2-1-5(15-6)7(12)11-9(3-4-9)8(13)14/h1-2H,3-4H2,(H,11,12)(H,13,14)
InChIKeyWOOQOSZKOUUINM-UHFFFAOYSA-N
XLogP1.75
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.69
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chlorothiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43239137
3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 59621215
(3S)-3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 59621148
5-chloro-N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]thiophene-2-carboxamide
CID 76938327
1-[(5-bromothiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43341656
5-chloro-N-(1-cyanocycloheptyl)thiophene-2-carboxamide
CID 55024708
5-chloro-N-(1-cyanocyclohexyl)thiophene-2-carboxamide
CID 55021425
N-[4-(bromomethyl)oxan-4-yl]-5-chlorothiophene-2-carboxamide
CID 106300903
1-(thieno[3,2-b]thiophene-5-carbonylamino)cyclopropane-1-carboxylic acid
CID 80734365
2-methylpropyl 3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylate
CID 68781613
1-(1,3-thiazole-5-carbonylamino)cyclopropane-1-carboxylic acid
CID 59496322
N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[(5-chlorothiophene-2-carbonyl)amino]piperidine-4-carboxamide
CID 3312919

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophene-2-carbonyl)amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(5-chlorothiophene-2-carbonyl)amino]cyclopropane-1-carboxylic acid (CID 65450610) is 1-[(5-chlorothiophene-2-carbonyl)amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-chlorothiophene-2-carbonyl)amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(5-chlorothiophene-2-carbonyl)amino]cyclopropane-1-carboxylic acid is O=C(NC1(C(=O)O)CC1)c1ccc(Cl)s1.
What is the InChIKey of 1-[(5-chlorothiophene-2-carbonyl)amino]cyclopropane-1-carboxylic acid?
The InChIKey is WOOQOSZKOUUINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO3S/c10-6-2-1-5(15-6)7(12)11-9(3-4-9)8(13)14/h1-2H,3-4H2,(H,11,12)(H,13,14).
What are the key properties of 1-[(5-chlorothiophene-2-carbonyl)amino]cyclopropane-1-carboxylic acid?
1-[(5-chlorothiophene-2-carbonyl)amino]cyclopropane-1-carboxylic acid has a molecular weight of 245.69 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophene-2-carbonyl)amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 65450610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).