4-[9H-fluoren-9-yl(methoxycarbonyl)amino]-1-propan-2-ylpiperidine-4-carboxylic acid

C24H28N2O4 — CID 46907971

IUPAC4-[9H-fluoren-9-yl(methoxycarbonyl)amino]-1-propan-2-ylpiperidine-4-carboxylic acid
SMILESCOC(=O)N(C1c2ccccc2-c2ccccc21)C1(C(=O)O)CCN(C(C)C)CC1
InChIInChI=1S/C24H28N2O4/c1-16(2)25-14-12-24(13-15-25,22(27)28)26(23(29)30-3)21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,16,21H,12-15H2,1-3H3,(H,27,28)
InChIKeyHNJTXFKUZNPSKY-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.15
Rot. Bonds4

About 4-[9H-fluoren-9-yl(methoxycarbonyl)amino]-1-propan-2-ylpiperidine-4-carboxylic acid

4-[9H-fluoren-9-yl(methoxycarbonyl)amino]-1-propan-2-ylpiperidine-4-carboxylic acid (PubChem CID 46907971) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 4-[9H-fluoren-9-yl(methoxycarbonyl)amino]-1-propan-2-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-[9H-fluoren-9-yl(methoxycarbonyl)amino]-1-propan-2-ylpiperidine-4-carboxylic acid
PubChem CID46907971
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name4-[9H-fluoren-9-yl(methoxycarbonyl)amino]-1-propan-2-ylpiperidine-4-carboxylic acid
SMILESCOC(=O)N(C1c2ccccc2-c2ccccc21)C1(C(=O)O)CCN(C(C)C)CC1
InChIInChI=1S/C24H28N2O4/c1-16(2)25-14-12-24(13-15-25,22(27)28)26(23(29)30-3)21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,16,21H,12-15H2,1-3H3,(H,27,28)
InChIKeyHNJTXFKUZNPSKY-UHFFFAOYSA-N
XLogP4.15
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[9H-fluoren-9-yl(methoxycarbonyl)amino]-1-propan-2-ylpiperidine-4-carboxylic acid?
The IUPAC name of 4-[9H-fluoren-9-yl(methoxycarbonyl)amino]-1-propan-2-ylpiperidine-4-carboxylic acid (CID 46907971) is 4-[9H-fluoren-9-yl(methoxycarbonyl)amino]-1-propan-2-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-[9H-fluoren-9-yl(methoxycarbonyl)amino]-1-propan-2-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-[9H-fluoren-9-yl(methoxycarbonyl)amino]-1-propan-2-ylpiperidine-4-carboxylic acid is COC(=O)N(C1c2ccccc2-c2ccccc21)C1(C(=O)O)CCN(C(C)C)CC1.
What is the InChIKey of 4-[9H-fluoren-9-yl(methoxycarbonyl)amino]-1-propan-2-ylpiperidine-4-carboxylic acid?
The InChIKey is HNJTXFKUZNPSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-16(2)25-14-12-24(13-15-25,22(27)28)26(23(29)30-3)21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,16,21H,12-15H2,1-3H3,(H,27,28).
What are the key properties of 4-[9H-fluoren-9-yl(methoxycarbonyl)amino]-1-propan-2-ylpiperidine-4-carboxylic acid?
4-[9H-fluoren-9-yl(methoxycarbonyl)amino]-1-propan-2-ylpiperidine-4-carboxylic acid has a molecular weight of 408.50 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9H-fluoren-9-yl(methoxycarbonyl)amino]-1-propan-2-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 46907971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).