1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid

C14H24N2O3 — CID 104598906

IUPAC1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
SMILESCCN(C(=O)CN1CCCCC1(C)C(=O)O)C1CC1
InChIInChI=1S/C14H24N2O3/c1-3-16(11-6-7-11)12(17)10-15-9-5-4-8-14(15,2)13(18)19/h11H,3-10H2,1-2H3,(H,18,19)
InChIKeyCJXYYNCNFKCAKR-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.33
Rot. Bonds5

About 1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid

1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid (PubChem CID 104598906) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
PubChem CID104598906
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
SMILESCCN(C(=O)CN1CCCCC1(C)C(=O)O)C1CC1
InChIInChI=1S/C14H24N2O3/c1-3-16(11-6-7-11)12(17)10-15-9-5-4-8-14(15,2)13(18)19/h11H,3-10H2,1-2H3,(H,18,19)
InChIKeyCJXYYNCNFKCAKR-UHFFFAOYSA-N
XLogP1.33
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
CID 113431104
1-(cyclohexylmethyl)-2-methylpiperidine-2-carboxylic acid
CID 104598472
1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
CID 104598886
1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
CID 104598446
N-cyclopropyl-N-ethyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728655
2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-N-cyclopropyl-N-ethylacetamide
CID 81115110
1-[2-(butan-2-ylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
CID 113431112
1-[2-(ethylcarbamoylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
CID 104598869
1-[2-(2-acetamidoethylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
CID 104598589
1-but-2-ynyl-2-methylpiperidine-2-carboxylic acid
CID 104598631
2-methyl-1-(oxan-3-ylmethyl)piperidine-2-carboxylic acid
CID 104599286
1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43437222

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid (CID 104598906) is 1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid is CCN(C(=O)CN1CCCCC1(C)C(=O)O)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid?
The InChIKey is CJXYYNCNFKCAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-3-16(11-6-7-11)12(17)10-15-9-5-4-8-14(15,2)13(18)19/h11H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid?
1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104598906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).