2-[(5-chlorothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid

C10H12ClNO2S — CID 117042685

IUPAC2-[(5-chlorothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid
SMILESCN(Cc1ccc(Cl)s1)C1CC1C(=O)O
InChIInChI=1S/C10H12ClNO2S/c1-12(8-4-7(8)10(13)14)5-6-2-3-9(11)15-6/h2-3,7-8H,4-5H2,1H3,(H,13,14)
InChIKeyBYCDNTYEWIKCAF-UHFFFAOYSA-N
MW245.73 g/mol
LogP2.31
Rot. Bonds4

About 2-[(5-chlorothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid

2-[(5-chlorothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid (PubChem CID 117042685) has the molecular formula C10H12ClNO2S and a molecular weight of 245.73 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid
PubChem CID117042685
Molecular FormulaC10H12ClNO2S
Molecular Weight245.73 g/mol
Exact Mass245.03
IUPAC Name2-[(5-chlorothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid
SMILESCN(Cc1ccc(Cl)s1)C1CC1C(=O)O
InChIInChI=1S/C10H12ClNO2S/c1-12(8-4-7(8)10(13)14)5-6-2-3-9(11)15-6/h2-3,7-8H,4-5H2,1H3,(H,13,14)
InChIKeyBYCDNTYEWIKCAF-UHFFFAOYSA-N
XLogP2.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042686
4-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66240752
2-[methyl-[(4-methylphenyl)methyl]amino]cyclopropane-1-carboxylic acid
CID 117042658
4-[(5-ethylthiophen-2-yl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66237650
3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methyl-1,1-dioxothiolane-3,4-diamine
CID 62694441
2-[(4-fluorophenyl)methyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042665
2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974499
4-[(5-bromothiophen-2-yl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66238008
1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one
CID 62053436
N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 60646136
2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclohexan-1-amine
CID 61438820
2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentan-1-amine
CID 61438774

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid (CID 117042685) is 2-[(5-chlorothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid is CN(Cc1ccc(Cl)s1)C1CC1C(=O)O.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid?
The InChIKey is BYCDNTYEWIKCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2S/c1-12(8-4-7(8)10(13)14)5-6-2-3-9(11)15-6/h2-3,7-8H,4-5H2,1H3,(H,13,14).
What are the key properties of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid?
2-[(5-chlorothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid has a molecular weight of 245.73 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117042685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).