1-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-3-methoxycyclohexane-1-carboxylic acid

C26H31NO5 — CID 106873175

IUPAC1-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-3-methoxycyclohexane-1-carboxylic acid
SMILESCCCN(C(=O)OCC1c2ccccc2-c2ccccc21)C1(C(=O)O)CCCC(OC)C1
InChIInChI=1S/C26H31NO5/c1-3-15-27(26(24(28)29)14-8-9-18(16-26)31-2)25(30)32-17-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h4-7,10-13,18,23H,3,8-9,14-17H2,1-2H3,(H,28,29)
InChIKeyOYOOSHCOQNLQSK-UHFFFAOYSA-N
MW437.54 g/mol
LogP5.06
Rot. Bonds7

About 1-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-3-methoxycyclohexane-1-carboxylic acid

1-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-3-methoxycyclohexane-1-carboxylic acid (PubChem CID 106873175) has the molecular formula C26H31NO5 and a molecular weight of 437.54 g/mol. Its IUPAC name is 1-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-3-methoxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-3-methoxycyclohexane-1-carboxylic acid
PubChem CID106873175
Molecular FormulaC26H31NO5
Molecular Weight437.54 g/mol
Exact Mass437.22
IUPAC Name1-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-3-methoxycyclohexane-1-carboxylic acid
SMILESCCCN(C(=O)OCC1c2ccccc2-c2ccccc21)C1(C(=O)O)CCCC(OC)C1
InChIInChI=1S/C26H31NO5/c1-3-15-27(26(24(28)29)14-8-9-18(16-26)31-2)25(30)32-17-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h4-7,10-13,18,23H,3,8-9,14-17H2,1-2H3,(H,28,29)
InChIKeyOYOOSHCOQNLQSK-UHFFFAOYSA-N
XLogP5.06
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-3-propan-2-ylcyclohexane-1-carboxylic acid
CID 107449447
4-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-3-methylpiperidine-4-carboxylic acid
CID 104930736
3-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-1-methylpiperidine-3-carboxylic acid
CID 103821509
9H-fluoren-9-ylmethyl N-hydroxy-N-propylcarbamate
CID 86810454
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
3-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 165469281
4-[9H-fluoren-9-ylmethoxycarbonyl(3-methoxybutyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 165469399
1-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylic acid
CID 103875412
3-[9H-fluoren-9-ylmethoxycarbonyl(3-methoxypropyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 165469396
9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate
CID 10563828
4-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 165179277

Frequently Asked Questions

What is the IUPAC name of 1-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-3-methoxycyclohexane-1-carboxylic acid?
The IUPAC name of 1-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-3-methoxycyclohexane-1-carboxylic acid (CID 106873175) is 1-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-3-methoxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-3-methoxycyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-3-methoxycyclohexane-1-carboxylic acid is CCCN(C(=O)OCC1c2ccccc2-c2ccccc21)C1(C(=O)O)CCCC(OC)C1.
What is the InChIKey of 1-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-3-methoxycyclohexane-1-carboxylic acid?
The InChIKey is OYOOSHCOQNLQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO5/c1-3-15-27(26(24(28)29)14-8-9-18(16-26)31-2)25(30)32-17-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h4-7,10-13,18,23H,3,8-9,14-17H2,1-2H3,(H,28,29).
What are the key properties of 1-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-3-methoxycyclohexane-1-carboxylic acid?
1-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-3-methoxycyclohexane-1-carboxylic acid has a molecular weight of 437.54 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-3-methoxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 106873175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).