2-[(4-fluorophenyl)methyl-methylamino]cyclopropane-1-carboxylic acid

C12H14FNO2 — CID 117042665

IUPAC2-[(4-fluorophenyl)methyl-methylamino]cyclopropane-1-carboxylic acid
SMILESCN(Cc1ccc(F)cc1)C1CC1C(=O)O
InChIInChI=1S/C12H14FNO2/c1-14(11-6-10(11)12(15)16)7-8-2-4-9(13)5-3-8/h2-5,10-11H,6-7H2,1H3,(H,15,16)
InChIKeyMHBFEVXVXPWHBE-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.73
Rot. Bonds4

About 2-[(4-fluorophenyl)methyl-methylamino]cyclopropane-1-carboxylic acid

2-[(4-fluorophenyl)methyl-methylamino]cyclopropane-1-carboxylic acid (PubChem CID 117042665) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-methylamino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-methylamino]cyclopropane-1-carboxylic acid
PubChem CID117042665
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name2-[(4-fluorophenyl)methyl-methylamino]cyclopropane-1-carboxylic acid
SMILESCN(Cc1ccc(F)cc1)C1CC1C(=O)O
InChIInChI=1S/C12H14FNO2/c1-14(11-6-10(11)12(15)16)7-8-2-4-9(13)5-3-8/h2-5,10-11H,6-7H2,1H3,(H,15,16)
InChIKeyMHBFEVXVXPWHBE-UHFFFAOYSA-N
XLogP1.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl-[(4-methylphenyl)methyl]amino]cyclopropane-1-carboxylic acid
CID 117042658
3-[(4-fluorophenyl)methyl-methylamino]cyclobutane-1-carboxylic acid
CID 117042951
2-[(4-chlorophenyl)methyl-methylamino]-4-methylcyclohexane-1-carboxylic acid
CID 63072994
2-[1,3-benzoxazol-6-ylmethyl(methyl)amino]cyclopropane-1-carboxylic acid
CID 117042722
4-[[(4-fluorophenyl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66238952
(3R,5S)-3-[(4-fluorophenyl)methyl-methylamino]-5-methyloxolan-2-one
CID 95152129
2-[2-(4-ethylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042769
2-[(5-bromothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042686
2-[(5-chlorothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042685
2-[(4-fluorophenyl)methyl]cyclobutane-1-carboxylic acid
CID 81009457
4-[(4-cyclopropylphenyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 79977911
2-[methyl-[(4-methylphenyl)methyl]amino]cycloheptane-1-carboxylic acid
CID 63067382

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-methylamino]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(4-fluorophenyl)methyl-methylamino]cyclopropane-1-carboxylic acid (CID 117042665) is 2-[(4-fluorophenyl)methyl-methylamino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-methylamino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-methylamino]cyclopropane-1-carboxylic acid is CN(Cc1ccc(F)cc1)C1CC1C(=O)O.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-methylamino]cyclopropane-1-carboxylic acid?
The InChIKey is MHBFEVXVXPWHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-14(11-6-10(11)12(15)16)7-8-2-4-9(13)5-3-8/h2-5,10-11H,6-7H2,1H3,(H,15,16).
What are the key properties of 2-[(4-fluorophenyl)methyl-methylamino]cyclopropane-1-carboxylic acid?
2-[(4-fluorophenyl)methyl-methylamino]cyclopropane-1-carboxylic acid has a molecular weight of 223.25 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-methylamino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117042665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).