2-[(N,2-dimethylanilino)methyl]cyclopropane-1-carboxylic acid

C13H17NO2 — CID 115221435

IUPAC2-[(N,2-dimethylanilino)methyl]cyclopropane-1-carboxylic acid
SMILESCc1ccccc1N(C)CC1CC1C(=O)O
InChIInChI=1S/C13H17NO2/c1-9-5-3-4-6-12(9)14(2)8-10-7-11(10)13(15)16/h3-6,10-11H,7-8H2,1-2H3,(H,15,16)
InChIKeyIUKKZVUQBWSSCC-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.15
Rot. Bonds4

About 2-[(N,2-dimethylanilino)methyl]cyclopropane-1-carboxylic acid

2-[(N,2-dimethylanilino)methyl]cyclopropane-1-carboxylic acid (PubChem CID 115221435) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-[(N,2-dimethylanilino)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(N,2-dimethylanilino)methyl]cyclopropane-1-carboxylic acid
PubChem CID115221435
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-[(N,2-dimethylanilino)methyl]cyclopropane-1-carboxylic acid
SMILESCc1ccccc1N(C)CC1CC1C(=O)O
InChIInChI=1S/C13H17NO2/c1-9-5-3-4-6-12(9)14(2)8-10-7-11(10)13(15)16/h3-6,10-11H,7-8H2,1-2H3,(H,15,16)
InChIKeyIUKKZVUQBWSSCC-UHFFFAOYSA-N
XLogP2.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(N,2-dimethylanilino)methyl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(N,2,4-trimethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115221380
2-[(4-methoxy-N,2,5-trimethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115221393
2-[(2,4-difluoro-N-methylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115221405
2-[(2-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115221411
2-[(4-fluoro-N,3-dimethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115221370
2-[(4-chloro-N-methylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115221367
2-[ethyl-(2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60791396
2-[(N,2-dimethylanilino)methyl]-4-propylcyclohexan-1-ol
CID 63487718
2-[[methyl-[(2,3,4-trimethylphenyl)methyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115221617
1-[2-(N,2-dimethylanilino)acetyl]piperidine-4-carboxylic acid
CID 62657444
5-[(N,2-dimethylanilino)methyl]pyrrolidin-3-ol
CID 66056557
cis-(1R,2S)-2-benzylcyclopropane-1-carboxylic acid
CID 10487497

Frequently Asked Questions

What is the IUPAC name of 2-[(N,2-dimethylanilino)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(N,2-dimethylanilino)methyl]cyclopropane-1-carboxylic acid (CID 115221435) is 2-[(N,2-dimethylanilino)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(N,2-dimethylanilino)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(N,2-dimethylanilino)methyl]cyclopropane-1-carboxylic acid is Cc1ccccc1N(C)CC1CC1C(=O)O.
What is the InChIKey of 2-[(N,2-dimethylanilino)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is IUKKZVUQBWSSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9-5-3-4-6-12(9)14(2)8-10-7-11(10)13(15)16/h3-6,10-11H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[(N,2-dimethylanilino)methyl]cyclopropane-1-carboxylic acid?
2-[(N,2-dimethylanilino)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 219.28 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N,2-dimethylanilino)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115221435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).