CID 140645950

C15H24NO4 — CID 140645950

IUPAC—
SMILESC=CC(C)C1(C([O])=O)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H24NO4/c1-6-11(2)15(12(17)18)8-7-9-16(10-15)13(19)20-14(3,4)5/h6,11H,1,7-10H2,2-5H3
InChIKeyWKCNLBHEXJPYEN-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.78
Rot. Bonds3

About CID 140645950

CID 140645950 (PubChem CID 140645950) has the molecular formula C15H24NO4 and a molecular weight of 282.36 g/mol.

Molecular Properties

Compound NameCID 140645950
PubChem CID140645950
Molecular FormulaC15H24NO4
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name—
SMILESC=CC(C)C1(C([O])=O)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H24NO4/c1-6-11(2)15(12(17)18)8-7-9-16(10-15)13(19)20-14(3,4)5/h6,11H,1,7-10H2,2-5H3
InChIKeyWKCNLBHEXJPYEN-UHFFFAOYSA-N
XLogP2.78
TPSA66.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3-(1,1-Difluoro-allyl)-piperidine-1,3-dicarboxylic acid 1-tert-butyl ester
CID 58293326
3-[1-Fluoro-1-(methylidene-lambda3-iodanyl)prop-2-enyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 148283364
1-O-tert-butyl 3-O-methyl (3S,4R)-4-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)piperidine-1,3-dicarboxylate
CID 167069036
1-O-tert-butyl 3-O-methyl 5-(2-fluoropropan-2-yl)-3-prop-2-enylpiperidine-1,3-dicarboxylate
CID 177236610
1-O-tert-butyl 3-O-ethyl (3S)-3-(3,3-difluoroprop-2-enyl)piperidine-1,3-dicarboxylate
CID 129601318
1-O-tert-butyl 3-O-ethyl (3R)-3-(3,3-difluoroprop-2-enyl)piperidine-1,3-dicarboxylate
CID 129601319
1-(tert-Butyl) 3-ethyl 3-(3,3-difluoro-2-propenyl)-1,3-piperidinedicarboxylate
CID 146675696
1-O-tert-butyl 3-O-methyl 5-[(E)-but-2-enyl]piperidine-1,3-dicarboxylate
CID 11403752
2-O-tert-butyl 6-O-methyl (1S,4R,6S)-2-azabicyclo[2.2.2]oct-7-ene-2,6-dicarboxylate
CID 12110922
2-O-tert-butyl 6-O-methyl 2-azabicyclo[2.2.2]oct-7-ene-2,6-dicarboxylate
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Frequently Asked Questions

What is the IUPAC name of CID 140645950?
The IUPAC name of CID 140645950 (CID 140645950) is not available.
What is the SMILES notation for CID 140645950?
The canonical SMILES for CID 140645950 is C=CC(C)C1(C([O])=O)CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of CID 140645950?
The InChIKey is WKCNLBHEXJPYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24NO4/c1-6-11(2)15(12(17)18)8-7-9-16(10-15)13(19)20-14(3,4)5/h6,11H,1,7-10H2,2-5H3.
What are the key properties of CID 140645950?
CID 140645950 has a molecular weight of 282.36 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140645950 is sourced from PubChem (CID 140645950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).