4-(aminomethyl)-2-(9H-fluoren-9-ylmethoxycarbonyl)oxane-4-carboxylic acid

C22H23NO5 — CID 121493858

IUPAC4-(aminomethyl)-2-(9H-fluoren-9-ylmethoxycarbonyl)oxane-4-carboxylic acid
SMILESNCC1(C(=O)O)CCOC(C(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C22H23NO5/c23-13-22(21(25)26)9-10-27-19(11-22)20(24)28-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18-19H,9-13,23H2,(H,25,26)
InChIKeyJNPJUPDWMKESKV-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.55
Rot. Bonds5

About 4-(aminomethyl)-2-(9H-fluoren-9-ylmethoxycarbonyl)oxane-4-carboxylic acid

4-(aminomethyl)-2-(9H-fluoren-9-ylmethoxycarbonyl)oxane-4-carboxylic acid (PubChem CID 121493858) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is 4-(aminomethyl)-2-(9H-fluoren-9-ylmethoxycarbonyl)oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-(aminomethyl)-2-(9H-fluoren-9-ylmethoxycarbonyl)oxane-4-carboxylic acid
PubChem CID121493858
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Name4-(aminomethyl)-2-(9H-fluoren-9-ylmethoxycarbonyl)oxane-4-carboxylic acid
SMILESNCC1(C(=O)O)CCOC(C(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C22H23NO5/c23-13-22(21(25)26)9-10-27-19(11-22)20(24)28-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18-19H,9-13,23H2,(H,25,26)
InChIKeyJNPJUPDWMKESKV-UHFFFAOYSA-N
XLogP2.55
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(aminomethyl)-2-(9H-fluoren-9-ylmethoxycarbonyl)oxane-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 oxane-2-carboxylate
CID 175742330
cis-(1R,2S)-1-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropane-1-carboxylic acid
CID 86307384
(3aS,6aR)-5-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,6,6a-tetrahydro-2H-furo[2,3-c]pyrrole-3a-carboxylic acid
CID 155820155
1-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 161453586
4-cyano-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 154879025
4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2,2-dimethyloxane-4-carboxylic acid
CID 165479015
2-(9H-fluoren-9-ylmethoxycarbonyl)-1,2-oxazolidine-5-carboxylic acid
CID 136576217
1-(9H-fluoren-9-ylmethoxycarbonyl)-3-(methoxymethyl)azetidine-3-carboxylic acid
CID 139026343
(2S,4R)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)thiane-4-carboxylic acid
CID 95567242
4-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 165179277
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
9H-fluoren-9-ylmethyl cyclohexanecarboxylate
CID 22102217

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-(9H-fluoren-9-ylmethoxycarbonyl)oxane-4-carboxylic acid?
The IUPAC name of 4-(aminomethyl)-2-(9H-fluoren-9-ylmethoxycarbonyl)oxane-4-carboxylic acid (CID 121493858) is 4-(aminomethyl)-2-(9H-fluoren-9-ylmethoxycarbonyl)oxane-4-carboxylic acid.
What is the SMILES notation for 4-(aminomethyl)-2-(9H-fluoren-9-ylmethoxycarbonyl)oxane-4-carboxylic acid?
The canonical SMILES for 4-(aminomethyl)-2-(9H-fluoren-9-ylmethoxycarbonyl)oxane-4-carboxylic acid is NCC1(C(=O)O)CCOC(C(=O)OCC2c3ccccc3-c3ccccc32)C1.
What is the InChIKey of 4-(aminomethyl)-2-(9H-fluoren-9-ylmethoxycarbonyl)oxane-4-carboxylic acid?
The InChIKey is JNPJUPDWMKESKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c23-13-22(21(25)26)9-10-27-19(11-22)20(24)28-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18-19H,9-13,23H2,(H,25,26).
What are the key properties of 4-(aminomethyl)-2-(9H-fluoren-9-ylmethoxycarbonyl)oxane-4-carboxylic acid?
4-(aminomethyl)-2-(9H-fluoren-9-ylmethoxycarbonyl)oxane-4-carboxylic acid has a molecular weight of 381.43 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-(9H-fluoren-9-ylmethoxycarbonyl)oxane-4-carboxylic acid is sourced from PubChem (CID 121493858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).