2-[dimethylamino(phenyl)methyl]cyclopropane-1-carboxylic acid

C13H17NO2 — CID 116908350

IUPAC2-[dimethylamino(phenyl)methyl]cyclopropane-1-carboxylic acid
SMILESCN(C)C(c1ccccc1)C1CC1C(=O)O
InChIInChI=1S/C13H17NO2/c1-14(2)12(9-6-4-3-5-7-9)10-8-11(10)13(15)16/h3-7,10-12H,8H2,1-2H3,(H,15,16)
InChIKeyBTGRIBZLPSRDMN-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.01
Rot. Bonds4

About 2-[dimethylamino(phenyl)methyl]cyclopropane-1-carboxylic acid

2-[dimethylamino(phenyl)methyl]cyclopropane-1-carboxylic acid (PubChem CID 116908350) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-[dimethylamino(phenyl)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[dimethylamino(phenyl)methyl]cyclopropane-1-carboxylic acid
PubChem CID116908350
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-[dimethylamino(phenyl)methyl]cyclopropane-1-carboxylic acid
SMILESCN(C)C(c1ccccc1)C1CC1C(=O)O
InChIInChI=1S/C13H17NO2/c1-14(2)12(9-6-4-3-5-7-9)10-8-11(10)13(15)16/h3-7,10-12H,8H2,1-2H3,(H,15,16)
InChIKeyBTGRIBZLPSRDMN-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-2-[hydroxy(phenyl)methyl]cyclopropane-1-carboxylic acid
CID 165353427
cis-(1R,2S)-2-[hydroxy(phenyl)methyl]cyclopropane-1-carboxylic acid
CID 130979849
2-[hydroxy(phenyl)methyl]-4-methylcyclopentane-1-carboxylic acid
CID 114392534
2-[(5-chlorothiophen-2-yl)-(dimethylamino)methyl]cyclopropane-1-carboxylic acid
CID 116908369
2-[diethylamino(phenyl)methyl]cyclopropane-1-carboxamide
CID 140575168
cis-(1S,2S)-2-[dimethylamino(phenyl)methyl]cycloheptan-1-ol;hydrochloride
CID 70600717
N-[(1R,2S)-2-[dimethylamino(phenyl)methyl]cyclohexyl]acetamide;hydrochloride
CID 175240823
2-[(5-bromo-2-methoxyphenyl)-(dimethylamino)methyl]cyclopropane-1-carboxylic acid
CID 116908372
2-(1-carboxy-4,4-diphenylbutyl)cyclopropane-1-carboxylic acid
CID 70066167
2-(2-amino-1-hydroxy-3-phenylpropyl)cyclopropane-1-carboxylic acid
CID 70065894
2-[amino-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116938559
trans-(1R,2S)-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 59617928

Frequently Asked Questions

What is the IUPAC name of 2-[dimethylamino(phenyl)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[dimethylamino(phenyl)methyl]cyclopropane-1-carboxylic acid (CID 116908350) is 2-[dimethylamino(phenyl)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[dimethylamino(phenyl)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[dimethylamino(phenyl)methyl]cyclopropane-1-carboxylic acid is CN(C)C(c1ccccc1)C1CC1C(=O)O.
What is the InChIKey of 2-[dimethylamino(phenyl)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is BTGRIBZLPSRDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-14(2)12(9-6-4-3-5-7-9)10-8-11(10)13(15)16/h3-7,10-12H,8H2,1-2H3,(H,15,16).
What are the key properties of 2-[dimethylamino(phenyl)methyl]cyclopropane-1-carboxylic acid?
2-[dimethylamino(phenyl)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 219.28 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethylamino(phenyl)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116908350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).