1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methoxypiperidine-2-carboxylic acid

C22H23NO5 — CID 146080993

IUPAC1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methoxypiperidine-2-carboxylic acid
SMILESCOC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C(C(=O)O)C1
InChIInChI=1S/C22H23NO5/c1-27-14-10-11-23(20(12-14)21(24)25)22(26)28-13-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,14,19-20H,10-13H2,1H3,(H,24,25)
InChIKeyMNGJVCMDPQPHPT-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.50
Rot. Bonds4

About 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methoxypiperidine-2-carboxylic acid

1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methoxypiperidine-2-carboxylic acid (PubChem CID 146080993) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methoxypiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methoxypiperidine-2-carboxylic acid
PubChem CID146080993
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Name1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methoxypiperidine-2-carboxylic acid
SMILESCOC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C(C(=O)O)C1
InChIInChI=1S/C22H23NO5/c1-27-14-10-11-23(20(12-14)21(24)25)22(26)28-13-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,14,19-20H,10-13H2,1H3,(H,24,25)
InChIKeyMNGJVCMDPQPHPT-UHFFFAOYSA-N
XLogP3.50
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-aminooxy-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
CID 167431338
(2R,4S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylpyrrolidine-2-carboxylic acid
CID 11609991
(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylpyrrolidine-2-carboxylic acid
CID 91026367
4-cyclobutyloxy-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
CID 171576184
(2S)-4-cyclopentyloxy-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
CID 177259586
(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid
CID 96567444
(2S,4R)-1-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid
CID 175753630
(2S)-1-[(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 96531841
(5S)-4-(9H-fluoren-9-ylmethoxycarbonyl)-1,4-oxazepane-5-carboxylic acid
CID 171370723
(5R)-4-(9H-fluoren-9-ylmethoxycarbonyl)-1,4-oxazepane-5-carboxylic acid
CID 172868522
1-(9H-fluoren-9-ylmethoxycarbonyl)-4-(4-methoxycarbonylphenoxy)pyrrolidine-2-carboxylic acid
CID 171141691
2-[(2S,4S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methoxypyrrolidin-2-yl]acetic acid
CID 155821603

Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methoxypiperidine-2-carboxylic acid?
The IUPAC name of 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methoxypiperidine-2-carboxylic acid (CID 146080993) is 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methoxypiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methoxypiperidine-2-carboxylic acid?
The canonical SMILES for 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methoxypiperidine-2-carboxylic acid is COC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C(C(=O)O)C1.
What is the InChIKey of 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methoxypiperidine-2-carboxylic acid?
The InChIKey is MNGJVCMDPQPHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c1-27-14-10-11-23(20(12-14)21(24)25)22(26)28-13-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,14,19-20H,10-13H2,1H3,(H,24,25).
What are the key properties of 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methoxypiperidine-2-carboxylic acid?
1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methoxypiperidine-2-carboxylic acid has a molecular weight of 381.43 g/mol, XLogP of 3.50, 4 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)-4-methoxypiperidine-2-carboxylic acid is sourced from PubChem (CID 146080993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).