1-[1-(aminomethyl)cyclopropanecarbonyl]-4-ethylpiperidine-2-carboxylic acid

C13H22N2O3 — CID 114429694

IUPAC1-[1-(aminomethyl)cyclopropanecarbonyl]-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)C2(CN)CC2)C(C(=O)O)C1
InChIInChI=1S/C13H22N2O3/c1-2-9-3-6-15(10(7-9)11(16)17)12(18)13(8-14)4-5-13/h9-10H,2-8,14H2,1H3,(H,16,17)
InChIKeyZWLGGPJHKAECIN-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.83
Rot. Bonds4

About 1-[1-(aminomethyl)cyclopropanecarbonyl]-4-ethylpiperidine-2-carboxylic acid

1-[1-(aminomethyl)cyclopropanecarbonyl]-4-ethylpiperidine-2-carboxylic acid (PubChem CID 114429694) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclopropanecarbonyl]-4-ethylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclopropanecarbonyl]-4-ethylpiperidine-2-carboxylic acid
PubChem CID114429694
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-[1-(aminomethyl)cyclopropanecarbonyl]-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)C2(CN)CC2)C(C(=O)O)C1
InChIInChI=1S/C13H22N2O3/c1-2-9-3-6-15(10(7-9)11(16)17)12(18)13(8-14)4-5-13/h9-10H,2-8,14H2,1H3,(H,16,17)
InChIKeyZWLGGPJHKAECIN-UHFFFAOYSA-N
XLogP0.83
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-amino-2-methylpentanoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114429643
1-[1-(aminomethyl)cyclopropanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid
CID 115453494
(2S,4S)-1-[1-(aminomethyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115453405
1-butanoyl-4-ethylpiperidine-2-carboxylic acid
CID 114426953
1-(2,2-dimethylcyclopentanecarbonyl)-4-ethylpiperidine-2-carboxylic acid
CID 107175943
1-(6-amino-4-ethylhexanoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114429706
1-(cyclopropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427375
1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-2-carboxylic acid
CID 115439352
4-ethyl-1-[(3-methyloxolan-3-yl)carbamoyl]piperidine-2-carboxylic acid
CID 114430536
4-ethyl-1-(4-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-2-carboxylic acid
CID 114679618
4-ethyl-1-[(Z)-2-methylpent-2-enoyl]piperidine-2-carboxylic acid
CID 114427226
4-ethyl-1-(2-methylsulfonylacetyl)piperidine-2-carboxylic acid
CID 114427207

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclopropanecarbonyl]-4-ethylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[1-(aminomethyl)cyclopropanecarbonyl]-4-ethylpiperidine-2-carboxylic acid (CID 114429694) is 1-[1-(aminomethyl)cyclopropanecarbonyl]-4-ethylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(aminomethyl)cyclopropanecarbonyl]-4-ethylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(aminomethyl)cyclopropanecarbonyl]-4-ethylpiperidine-2-carboxylic acid is CCC1CCN(C(=O)C2(CN)CC2)C(C(=O)O)C1.
What is the InChIKey of 1-[1-(aminomethyl)cyclopropanecarbonyl]-4-ethylpiperidine-2-carboxylic acid?
The InChIKey is ZWLGGPJHKAECIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-9-3-6-15(10(7-9)11(16)17)12(18)13(8-14)4-5-13/h9-10H,2-8,14H2,1H3,(H,16,17).
What are the key properties of 1-[1-(aminomethyl)cyclopropanecarbonyl]-4-ethylpiperidine-2-carboxylic acid?
1-[1-(aminomethyl)cyclopropanecarbonyl]-4-ethylpiperidine-2-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclopropanecarbonyl]-4-ethylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114429694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).