4-ethyl-1-[2-hydroxyethyl(prop-2-enyl)carbamoyl]piperidine-2-carboxylic acid

C14H24N2O4 — CID 114430554

IUPAC4-ethyl-1-[2-hydroxyethyl(prop-2-enyl)carbamoyl]piperidine-2-carboxylic acid
SMILESC=CCN(CCO)C(=O)N1CCC(CC)CC1C(=O)O
InChIInChI=1S/C14H24N2O4/c1-3-6-15(8-9-17)14(20)16-7-5-11(4-2)10-12(16)13(18)19/h3,11-12,17H,1,4-10H2,2H3,(H,18,19)
InChIKeyOHJNIICWVHLSSC-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.16
Rot. Bonds6

About 4-ethyl-1-[2-hydroxyethyl(prop-2-enyl)carbamoyl]piperidine-2-carboxylic acid

4-ethyl-1-[2-hydroxyethyl(prop-2-enyl)carbamoyl]piperidine-2-carboxylic acid (PubChem CID 114430554) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-ethyl-1-[2-hydroxyethyl(prop-2-enyl)carbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[2-hydroxyethyl(prop-2-enyl)carbamoyl]piperidine-2-carboxylic acid
PubChem CID114430554
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-ethyl-1-[2-hydroxyethyl(prop-2-enyl)carbamoyl]piperidine-2-carboxylic acid
SMILESC=CCN(CCO)C(=O)N1CCC(CC)CC1C(=O)O
InChIInChI=1S/C14H24N2O4/c1-3-6-15(8-9-17)14(20)16-7-5-11(4-2)10-12(16)13(18)19/h3,11-12,17H,1,4-10H2,2H3,(H,18,19)
InChIKeyOHJNIICWVHLSSC-UHFFFAOYSA-N
XLogP1.16
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-1-[propan-2-yl(prop-2-enyl)carbamoyl]piperidine-2-carboxylic acid
CID 114430483
1-[butyl(ethyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
CID 114430130
4-ethyl-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-2-carboxylic acid
CID 114430186
4-ethyl-1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidine-2-carboxylic acid
CID 114430104
1-[2-cyanoethyl(propan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
CID 114430303
1-butanoyl-4-ethylpiperidine-2-carboxylic acid
CID 114426953
4-ethyl-1-[(Z)-2-methylpent-2-enoyl]piperidine-2-carboxylic acid
CID 114427226
1-(cyclopropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427375
4-ethyl-1-pent-4-enylpiperidine-2-carboxylic acid
CID 114431232
1-[1-(aminomethyl)cyclopropanecarbonyl]-4-ethylpiperidine-2-carboxylic acid
CID 114429694
1-[bis(2-hydroxyethyl)carbamoyl]azepane-2-carboxylic acid
CID 64564677
4-ethyl-1-(2-methylsulfonylacetyl)piperidine-2-carboxylic acid
CID 114427207

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[2-hydroxyethyl(prop-2-enyl)carbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-[2-hydroxyethyl(prop-2-enyl)carbamoyl]piperidine-2-carboxylic acid (CID 114430554) is 4-ethyl-1-[2-hydroxyethyl(prop-2-enyl)carbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[2-hydroxyethyl(prop-2-enyl)carbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[2-hydroxyethyl(prop-2-enyl)carbamoyl]piperidine-2-carboxylic acid is C=CCN(CCO)C(=O)N1CCC(CC)CC1C(=O)O.
What is the InChIKey of 4-ethyl-1-[2-hydroxyethyl(prop-2-enyl)carbamoyl]piperidine-2-carboxylic acid?
The InChIKey is OHJNIICWVHLSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-3-6-15(8-9-17)14(20)16-7-5-11(4-2)10-12(16)13(18)19/h3,11-12,17H,1,4-10H2,2H3,(H,18,19).
What are the key properties of 4-ethyl-1-[2-hydroxyethyl(prop-2-enyl)carbamoyl]piperidine-2-carboxylic acid?
4-ethyl-1-[2-hydroxyethyl(prop-2-enyl)carbamoyl]piperidine-2-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[2-hydroxyethyl(prop-2-enyl)carbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 114430554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).