2-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclopropane-1-carboxylic acid

C11H15NO2S — CID 115221563

IUPAC2-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclopropane-1-carboxylic acid
SMILESCc1ccsc1CNCC1CC1C(=O)O
InChIInChI=1S/C11H15NO2S/c1-7-2-3-15-10(7)6-12-5-8-4-9(8)11(13)14/h2-3,8-9,12H,4-6H2,1H3,(H,13,14)
InChIKeyKAKRHFBVPRCZNV-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.87
Rot. Bonds5

About 2-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclopropane-1-carboxylic acid

2-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115221563) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115221563
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name2-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclopropane-1-carboxylic acid
SMILESCc1ccsc1CNCC1CC1C(=O)O
InChIInChI=1S/C11H15NO2S/c1-7-2-3-15-10(7)6-12-5-8-4-9(8)11(13)14/h2-3,8-9,12H,4-6H2,1H3,(H,13,14)
InChIKeyKAKRHFBVPRCZNV-UHFFFAOYSA-N
XLogP1.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115221551
1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 103276900
N-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide
CID 32958884
4-[(3-methylthiophen-2-yl)methylamino]butanoic acid
CID 51888577
5-[(3-methylthiophen-2-yl)methylamino]pentanoic acid
CID 103259614
2-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopropan-1-amine
CID 62397682
3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]cyclobutane-1-carboxylic acid
CID 117043007
3,3-dimethyl-4-[(3-methylthiophen-2-yl)methylamino]butanoic acid
CID 115220368
2-[(3-methylthiophen-2-yl)methylamino]acetaldehyde
CID 115223017
3-methyl-1-[(3-methylthiophen-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 102782899
2-[(3-methylthiophen-2-yl)methylamino]-N-propan-2-ylacetamide
CID 43400029
2-[[2-(2,4-dimethylphenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid
CID 115221646

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclopropane-1-carboxylic acid (CID 115221563) is 2-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclopropane-1-carboxylic acid is Cc1ccsc1CNCC1CC1C(=O)O.
What is the InChIKey of 2-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is KAKRHFBVPRCZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-7-2-3-15-10(7)6-12-5-8-4-9(8)11(13)14/h2-3,8-9,12H,4-6H2,1H3,(H,13,14).
What are the key properties of 2-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclopropane-1-carboxylic acid?
2-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 225.31 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115221563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).