1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid

C14H24N2O3 — CID 43385804

IUPAC1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
SMILESC=C(C)CN(CC)C(=O)CN1CCC(C(=O)O)CC1
InChIInChI=1S/C14H24N2O3/c1-4-16(9-11(2)3)13(17)10-15-7-5-12(6-8-15)14(18)19/h12H,2,4-10H2,1,3H3,(H,18,19)
InChIKeyDKRVAYZSMKEMGT-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.21
Rot. Bonds6

About 1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid

1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid (PubChem CID 43385804) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
PubChem CID43385804
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
SMILESC=C(C)CN(CC)C(=O)CN1CCC(C(=O)O)CC1
InChIInChI=1S/C14H24N2O3/c1-4-16(9-11(2)3)13(17)10-15-7-5-12(6-8-15)14(18)19/h12H,2,4-10H2,1,3H3,(H,18,19)
InChIKeyDKRVAYZSMKEMGT-UHFFFAOYSA-N
XLogP1.21
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid (CID 43385804) is 1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid is C=C(C)CN(CC)C(=O)CN1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid?
The InChIKey is DKRVAYZSMKEMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-4-16(9-11(2)3)13(17)10-15-7-5-12(6-8-15)14(18)19/h12H,2,4-10H2,1,3H3,(H,18,19).
What are the key properties of 1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid?
1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 43385804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).