1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid

C19H20N2O4 — CID 120549388

IUPAC1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(NC(=O)C1(C(=O)O)CC1)c1cccc(OCc2ccccn2)c1
InChIInChI=1S/C19H20N2O4/c1-13(21-17(22)19(8-9-19)18(23)24)14-5-4-7-16(11-14)25-12-15-6-2-3-10-20-15/h2-7,10-11,13H,8-9,12H2,1H3,(H,21,22)(H,23,24)
InChIKeyUWNHIRKKGMTBJX-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.70
Rot. Bonds7

About 1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid

1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 120549388) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID120549388
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(NC(=O)C1(C(=O)O)CC1)c1cccc(OCc2ccccn2)c1
InChIInChI=1S/C19H20N2O4/c1-13(21-17(22)19(8-9-19)18(23)24)14-5-4-7-16(11-14)25-12-15-6-2-3-10-20-15/h2-7,10-11,13H,8-9,12H2,1H3,(H,21,22)(H,23,24)
InChIKeyUWNHIRKKGMTBJX-UHFFFAOYSA-N
XLogP2.70
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120549389
(2S)-2-amino-3,3-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide
CID 119852161
3-amino-2-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride
CID 120503030
4-iodo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55901485
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 47063190
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55959044
2-cyclobutyloxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 86970699
1-(cyclopropanecarbonyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 55902883
5-methyl-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122122332
3-(2-methylpropoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide
CID 55902641
2-chloro-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-4-carboxamide
CID 55901872
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119852182

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid (CID 120549388) is 1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid is CC(NC(=O)C1(C(=O)O)CC1)c1cccc(OCc2ccccn2)c1.
What is the InChIKey of 1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is UWNHIRKKGMTBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13(21-17(22)19(8-9-19)18(23)24)14-5-4-7-16(11-14)25-12-15-6-2-3-10-20-15/h2-7,10-11,13H,8-9,12H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid?
1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 120549388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).