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

C21H22N2O4 — CID 68838890

IUPAC1-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
SMILESNN1CCC(C(=O)O)CC1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H22N2O4/c22-23-10-9-13(20(24)25)11-19(23)21(26)27-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18-19H,9-12,22H2,(H,24,25)
InChIKeyDWKDMABPXZBKSP-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.38
Rot. Bonds4

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

1-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid (PubChem CID 68838890) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
PubChem CID68838890
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name1-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
SMILESNN1CCC(C(=O)O)CC1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H22N2O4/c22-23-10-9-13(20(24)25)11-19(23)21(26)27-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18-19H,9-12,22H2,(H,24,25)
InChIKeyDWKDMABPXZBKSP-UHFFFAOYSA-N
XLogP2.38
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze 1-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-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

9H-fluoren-9-ylmethyl 1-aminopyrrolidine-3-carboxylate
CID 53442786
2-(aminomethyl)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 167719994
1-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
CID 125423518
2-[(2R,4S)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-1-yl]acetic acid
CID 86307579
(2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylazetidine-2-carboxylic acid
CID 154704783
9H-fluoren-9-ylmethyl 4-carbonochloridoylpiperidine-1-carboxylate
CID 86647451
9H-fluoren-9-ylmethyl cyclohexanecarboxylate
CID 22102217
(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid
CID 96567444
(2R,4R)-1-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropanecarbonyl]-2-methylpiperidine-4-carboxylic acid
CID 165447074
(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylpyrrolidine-2-carboxylic acid
CID 91026367
(3S,4S)-3-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 167735642
(2R,4S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylpyrrolidine-2-carboxylic acid
CID 11609991

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid (CID 68838890) is 1-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid is NN1CCC(C(=O)O)CC1C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 1-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid?
The InChIKey is DWKDMABPXZBKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c22-23-10-9-13(20(24)25)11-19(23)21(26)27-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18-19H,9-12,22H2,(H,24,25).
What are the key properties of 1-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid?
1-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid has a molecular weight of 366.42 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 68838890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).