1-[(2-fluoro-4-methoxyphenyl)methylamino]cyclopropane-1-carboxylic acid

C12H14FNO3 — CID 102877515

IUPAC1-[(2-fluoro-4-methoxyphenyl)methylamino]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(CNC2(C(=O)O)CC2)c(F)c1
InChIInChI=1S/C12H14FNO3/c1-17-9-3-2-8(10(13)6-9)7-14-12(4-5-12)11(15)16/h2-3,6,14H,4-5,7H2,1H3,(H,15,16)
InChIKeyLQKFYPHZRMHMQB-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.54
Rot. Bonds5

About 1-[(2-fluoro-4-methoxyphenyl)methylamino]cyclopropane-1-carboxylic acid

1-[(2-fluoro-4-methoxyphenyl)methylamino]cyclopropane-1-carboxylic acid (PubChem CID 102877515) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is 1-[(2-fluoro-4-methoxyphenyl)methylamino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-fluoro-4-methoxyphenyl)methylamino]cyclopropane-1-carboxylic acid
PubChem CID102877515
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name1-[(2-fluoro-4-methoxyphenyl)methylamino]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(CNC2(C(=O)O)CC2)c(F)c1
InChIInChI=1S/C12H14FNO3/c1-17-9-3-2-8(10(13)6-9)7-14-12(4-5-12)11(15)16/h2-3,6,14H,4-5,7H2,1H3,(H,15,16)
InChIKeyLQKFYPHZRMHMQB-UHFFFAOYSA-N
XLogP1.54
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107324895
4-ethyl-1-[(2-fluoro-4-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid
CID 102879847
3-ethyl-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 102877482
1-[(2-chloro-3-fluorophenyl)methylamino]cyclopropane-1-carboxylic acid
CID 112652752
3-[[2-(2-fluoro-4-methoxyphenyl)acetyl]amino]-2-methylpropanoic acid
CID 110834507
2-[(2-fluoro-4-methoxyphenyl)methylamino]ethylurea
CID 102876604
dimethyl 2-[(2-fluoro-4-methoxyphenyl)methyl]propanedioate
CID 102880094
3-[(2-fluoro-4-methoxyphenyl)methylamino]cyclobutan-1-ol
CID 102876481
4-[[2-(2-fluoro-4-methoxyphenyl)acetyl]amino]butanoic acid
CID 110834503
3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propanoic acid
CID 102877392
3-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119802030
1-(4-ethylcyclohexyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanamine
CID 102876292

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-4-methoxyphenyl)methylamino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(2-fluoro-4-methoxyphenyl)methylamino]cyclopropane-1-carboxylic acid (CID 102877515) is 1-[(2-fluoro-4-methoxyphenyl)methylamino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-fluoro-4-methoxyphenyl)methylamino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(2-fluoro-4-methoxyphenyl)methylamino]cyclopropane-1-carboxylic acid is COc1ccc(CNC2(C(=O)O)CC2)c(F)c1.
What is the InChIKey of 1-[(2-fluoro-4-methoxyphenyl)methylamino]cyclopropane-1-carboxylic acid?
The InChIKey is LQKFYPHZRMHMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-17-9-3-2-8(10(13)6-9)7-14-12(4-5-12)11(15)16/h2-3,6,14H,4-5,7H2,1H3,(H,15,16).
What are the key properties of 1-[(2-fluoro-4-methoxyphenyl)methylamino]cyclopropane-1-carboxylic acid?
1-[(2-fluoro-4-methoxyphenyl)methylamino]cyclopropane-1-carboxylic acid has a molecular weight of 239.25 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-4-methoxyphenyl)methylamino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 102877515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).