1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylpiperidine-4-carboxylic acid

C22H23NO4 — CID 19361801

IUPAC1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C22H23NO4/c1-22(20(24)25)10-12-23(13-11-22)21(26)27-14-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,19H,10-14H2,1H3,(H,24,25)
InChIKeyNVLVYKWFJWQKMG-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.12
Rot. Bonds3

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

1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylpiperidine-4-carboxylic acid (PubChem CID 19361801) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylpiperidine-4-carboxylic acid
PubChem CID19361801
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C22H23NO4/c1-22(20(24)25)10-12-23(13-11-22)21(26)27-14-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,19H,10-14H2,1H3,(H,24,25)
InChIKeyNVLVYKWFJWQKMG-UHFFFAOYSA-N
XLogP4.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)hexanoic acid
CID 2756087
1-{[(9H-Fluoren-9-yl)methoxy]carbonyl}piperidine-4-carboxylic acid
CID 2736490
(2S)-1-[(9H-fluoren-9-ylmethoxy)carbonyl]piperidine-2-carboxylic acid
CID 983042
N-Fmoc-iminodiacetic acid
CID 601361
1-((tert-butoxy)carbonyl)-4-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)piperidine-4-carboxylic acid
CID 2734399
2-({1-[(tert-butoxy)carbonyl]piperidin-4-yl}({[(9H-fluoren-9-yl)methoxy]carbonyl})amino)acetic acid
CID 2756163
(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)-4-methylpentanoic acid
CID 7015835
8-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)octanoic acid
CID 2756091
2-((((9H-fluoren-9-yl)methoxy)carbonyl)(methyl)amino)acetic acid
CID 688640
(2S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-methylbutanoic acid
CID 978328
(2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)-3-phenylpropanoic acid
CID 978357
4-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)butanoic acid
CID 2756086

Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylpiperidine-4-carboxylic acid (CID 19361801) is 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylpiperidine-4-carboxylic acid?
The InChIKey is NVLVYKWFJWQKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-22(20(24)25)10-12-23(13-11-22)21(26)27-14-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,19H,10-14H2,1H3,(H,24,25).
What are the key properties of 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylpiperidine-4-carboxylic acid?
1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylpiperidine-4-carboxylic acid has a molecular weight of 365.43 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 19361801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).