3-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-1-methylpiperidine-3-carboxylic acid

C24H28N2O4 — CID 103821509

IUPAC3-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-1-methylpiperidine-3-carboxylic acid
SMILESCCN(C(=O)OCC1c2ccccc2-c2ccccc21)C1(C(=O)O)CCCN(C)C1
InChIInChI=1S/C24H28N2O4/c1-3-26(24(22(27)28)13-8-14-25(2)16-24)23(29)30-15-21-19-11-6-4-9-17(19)18-10-5-7-12-20(18)21/h4-7,9-12,21H,3,8,13-16H2,1-2H3,(H,27,28)
InChIKeyJEZDHJONCJRMHZ-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.81
Rot. Bonds5

About 3-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-1-methylpiperidine-3-carboxylic acid

3-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-1-methylpiperidine-3-carboxylic acid (PubChem CID 103821509) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 3-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-1-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-1-methylpiperidine-3-carboxylic acid
PubChem CID103821509
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name3-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-1-methylpiperidine-3-carboxylic acid
SMILESCCN(C(=O)OCC1c2ccccc2-c2ccccc21)C1(C(=O)O)CCCN(C)C1
InChIInChI=1S/C24H28N2O4/c1-3-26(24(22(27)28)13-8-14-25(2)16-24)23(29)30-15-21-19-11-6-4-9-17(19)18-10-5-7-12-20(18)21/h4-7,9-12,21H,3,8,13-16H2,1-2H3,(H,27,28)
InChIKeyJEZDHJONCJRMHZ-UHFFFAOYSA-N
XLogP3.81
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 165469281
1-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-3-propan-2-ylcyclohexane-1-carboxylic acid
CID 107449447
1-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylic acid
CID 103875412
1-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-3-methoxycyclohexane-1-carboxylic acid
CID 106873175
3-[9H-fluoren-9-ylmethoxycarbonyl-(1-propylpiperidin-4-yl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 165463422
3-[9H-fluoren-9-ylmethoxycarbonyl-[[1-(methoxymethyl)cyclobutyl]methyl]amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 165469401
3-[9H-fluoren-9-ylmethoxycarbonyl(3-methoxypropyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 165469396
1-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylcyclobutane-1-carboxylic acid
CID 103563622
4-[9H-fluoren-9-ylmethoxycarbonyl-[(3-methoxycyclobutyl)methyl]amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 165469336
1-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-5-fluoro-2,3-dihydroindene-1-carboxylic acid
CID 104889861
4-[9H-fluoren-9-ylmethoxycarbonyl(oxolan-3-ylmethyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 165469349
4-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-3-methylpiperidine-4-carboxylic acid
CID 104930736

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-1-methylpiperidine-3-carboxylic acid?
The IUPAC name of 3-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-1-methylpiperidine-3-carboxylic acid (CID 103821509) is 3-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-1-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 3-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-1-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 3-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-1-methylpiperidine-3-carboxylic acid is CCN(C(=O)OCC1c2ccccc2-c2ccccc21)C1(C(=O)O)CCCN(C)C1.
What is the InChIKey of 3-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-1-methylpiperidine-3-carboxylic acid?
The InChIKey is JEZDHJONCJRMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-3-26(24(22(27)28)13-8-14-25(2)16-24)23(29)30-15-21-19-11-6-4-9-17(19)18-10-5-7-12-20(18)21/h4-7,9-12,21H,3,8,13-16H2,1-2H3,(H,27,28).
What are the key properties of 3-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-1-methylpiperidine-3-carboxylic acid?
3-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-1-methylpiperidine-3-carboxylic acid has a molecular weight of 408.50 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-1-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 103821509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).