1-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid

C14H19NO3 — CID 115243096

IUPAC1-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccccc1CCNCC1(C(=O)O)CC1
InChIInChI=1S/C14H19NO3/c1-18-12-5-3-2-4-11(12)6-9-15-10-14(7-8-14)13(16)17/h2-5,15H,6-10H2,1H3,(H,16,17)
InChIKeyQKGZQIZPJGJZFX-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.69
Rot. Bonds7

About 1-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid

1-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115243096) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115243096
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccccc1CCNCC1(C(=O)O)CC1
InChIInChI=1S/C14H19NO3/c1-18-12-5-3-2-4-11(12)6-9-15-10-14(7-8-14)13(16)17/h2-5,15H,6-10H2,1H3,(H,16,17)
InChIKeyQKGZQIZPJGJZFX-UHFFFAOYSA-N
XLogP1.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[3-[[2-(2-methoxyphenyl)ethylamino]methyl]oxetan-3-yl]methanol
CID 115249100
1-[2-(2-methoxyphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 106261987
N'-hydroxy-2-[1-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclopropyl]ethanimidamide
CID 106261536
1-[[2-(2,4-dimethylphenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid
CID 115243065
2-[[2-(2-methoxyphenyl)ethylamino]methyl]benzoic acid;hydrochloride
CID 17207529
1-[[(3-ethyl-4-methoxyphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115242923
methyl 1-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxylate
CID 116929879
3-[2-(2-methoxyphenyl)ethylamino]-2-(methylamino)propanoic acid
CID 115256258
3-hydroxy-4-[2-(2-methoxyphenyl)ethylamino]butanoic acid
CID 106261779
2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine;oxalic acid
CID 17367557
2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106261295
N-(3-bromophenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109025458

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid (CID 115243096) is 1-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid is COc1ccccc1CCNCC1(C(=O)O)CC1.
What is the InChIKey of 1-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is QKGZQIZPJGJZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-18-12-5-3-2-4-11(12)6-9-15-10-14(7-8-14)13(16)17/h2-5,15H,6-10H2,1H3,(H,16,17).
What are the key properties of 1-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid?
1-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115243096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).