1-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylic acid

C25H28N2O4 — CID 103875412

IUPAC1-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylic acid
SMILESCCN(C(=O)OCC1c2ccccc2-c2ccccc21)C1(C(=O)O)CCN2CCCC21
InChIInChI=1S/C25H28N2O4/c1-2-27(25(23(28)29)13-15-26-14-7-12-22(25)26)24(30)31-16-21-19-10-5-3-8-17(19)18-9-4-6-11-20(18)21/h3-6,8-11,21-22H,2,7,12-16H2,1H3,(H,28,29)
InChIKeyUTLMLLBSKDKQEU-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.95
Rot. Bonds5

About 1-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylic acid

1-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylic acid (PubChem CID 103875412) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is 1-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylic acid.

Molecular Properties

Compound Name1-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylic acid
PubChem CID103875412
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name1-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylic acid
SMILESCCN(C(=O)OCC1c2ccccc2-c2ccccc21)C1(C(=O)O)CCN2CCCC21
InChIInChI=1S/C25H28N2O4/c1-2-27(25(23(28)29)13-15-26-14-7-12-22(25)26)24(30)31-16-21-19-10-5-3-8-17(19)18-9-4-6-11-20(18)21/h3-6,8-11,21-22H,2,7,12-16H2,1H3,(H,28,29)
InChIKeyUTLMLLBSKDKQEU-UHFFFAOYSA-N
XLogP3.95
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-1-methylpiperidine-3-carboxylic acid
CID 103821509
1-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-3-propan-2-ylcyclohexane-1-carboxylic acid
CID 107449447
3-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 165469281
4-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-3-methylpiperidine-4-carboxylic acid
CID 104930736
1-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-5-fluoro-2,3-dihydroindene-1-carboxylic acid
CID 104889861
1-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-3-methoxycyclohexane-1-carboxylic acid
CID 106873175
9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate
CID 10563828
4-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 165179277
1-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 161453586
(2S)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 18650330
3-[9H-fluoren-9-ylmethoxycarbonyl-[[1-(methoxymethyl)cyclobutyl]methyl]amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 165469401
1-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylcyclobutane-1-carboxylic acid
CID 103563622

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylic acid?
The IUPAC name of 1-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylic acid (CID 103875412) is 1-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylic acid.
What is the SMILES notation for 1-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylic acid?
The canonical SMILES for 1-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylic acid is CCN(C(=O)OCC1c2ccccc2-c2ccccc21)C1(C(=O)O)CCN2CCCC21.
What is the InChIKey of 1-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylic acid?
The InChIKey is UTLMLLBSKDKQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-2-27(25(23(28)29)13-15-26-14-7-12-22(25)26)24(30)31-16-21-19-10-5-3-8-17(19)18-9-4-6-11-20(18)21/h3-6,8-11,21-22H,2,7,12-16H2,1H3,(H,28,29).
What are the key properties of 1-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylic acid?
1-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylic acid has a molecular weight of 420.51 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylic acid is sourced from PubChem (CID 103875412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).