1-[[(3-ethylpiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

C13H22N2O3 — CID 113312418

IUPAC1-[[(3-ethylpiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCCC1CCCN(C(=O)NCC2(C(=O)O)CC2)C1
InChIInChI=1S/C13H22N2O3/c1-2-10-4-3-7-15(8-10)12(18)14-9-13(5-6-13)11(16)17/h10H,2-9H2,1H3,(H,14,18)(H,16,17)
InChIKeyZBCSNURMRKMINC-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.68
Rot. Bonds4

About 1-[[(3-ethylpiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

1-[[(3-ethylpiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 113312418) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[[(3-ethylpiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(3-ethylpiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID113312418
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-[[(3-ethylpiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCCC1CCCN(C(=O)NCC2(C(=O)O)CC2)C1
InChIInChI=1S/C13H22N2O3/c1-2-10-4-3-7-15(8-10)12(18)14-9-13(5-6-13)11(16)17/h10H,2-9H2,1H3,(H,14,18)(H,16,17)
InChIKeyZBCSNURMRKMINC-UHFFFAOYSA-N
XLogP1.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(3-aminopiperidine-1-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115444749
1-[[(4-ethylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115434102
1-[[(3-propoxypiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115451446
1-[[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451548
1-[[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451731
1-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 102963018
3-[(3-ethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66176994
1-[[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436961
(3R)-3-ethyl-N-(2-sulfanylethyl)piperidine-1-carboxamide
CID 143486954
1-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115451632
1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115451319
1-[[(3-methoxycarbonylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115434458

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-ethylpiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(3-ethylpiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (CID 113312418) is 1-[[(3-ethylpiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(3-ethylpiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(3-ethylpiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is CCC1CCCN(C(=O)NCC2(C(=O)O)CC2)C1.
What is the InChIKey of 1-[[(3-ethylpiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is ZBCSNURMRKMINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-10-4-3-7-15(8-10)12(18)14-9-13(5-6-13)11(16)17/h10H,2-9H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 1-[[(3-ethylpiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
1-[[(3-ethylpiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-ethylpiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 113312418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).