acetic acid;9H-fluoren-9-ylmethyl 4-aminocyclohexane-1-carboxylate

C23H27NO4 — CID 53444085

IUPACacetic acid;9H-fluoren-9-ylmethyl 4-aminocyclohexane-1-carboxylate
SMILESCC(=O)O.NC1CCC(C(=O)OCC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C21H23NO2.C2H4O2/c22-15-11-9-14(10-12-15)21(23)24-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20;1-2(3)4/h1-8,14-15,20H,9-13,22H2;1H3,(H,3,4)
InChIKeyQYICLSSFHGDMGP-UHFFFAOYSA-N
MW381.47 g/mol
LogP3.95
Rot. Bonds3

About acetic acid;9H-fluoren-9-ylmethyl 4-aminocyclohexane-1-carboxylate

acetic acid;9H-fluoren-9-ylmethyl 4-aminocyclohexane-1-carboxylate (PubChem CID 53444085) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is acetic acid;9H-fluoren-9-ylmethyl 4-aminocyclohexane-1-carboxylate.

Molecular Properties

Compound Nameacetic acid;9H-fluoren-9-ylmethyl 4-aminocyclohexane-1-carboxylate
PubChem CID53444085
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Nameacetic acid;9H-fluoren-9-ylmethyl 4-aminocyclohexane-1-carboxylate
SMILESCC(=O)O.NC1CCC(C(=O)OCC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C21H23NO2.C2H4O2/c22-15-11-9-14(10-12-15)21(23)24-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20;1-2(3)4/h1-8,14-15,20H,9-13,22H2;1H3,(H,3,4)
InChIKeyQYICLSSFHGDMGP-UHFFFAOYSA-N
XLogP3.95
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze acetic acid;9H-fluoren-9-ylmethyl 4-aminocyclohexane-1-carboxylate 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 cyclohexanecarboxylate
CID 22102217
9H-fluoren-9-ylmethyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 167441327
9H-fluoren-9-ylmethyl 1-aminopyrrolidine-3-carboxylate
CID 53442786
trans-9H-fluoren-9-ylmethyl (1R,2R)-2-aminocyclohexane-1-carboxylate
CID 140639603
(2-bromophenyl)methyl 4-aminocyclohexane-1-carboxylate
CID 82824678
benzene;9H-fluoren-9-ylmethyl (2S)-2-phenylcyclobutane-1-carboxylate
CID 145368266
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
cis-(1R,2S)-1-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropane-1-carboxylic acid
CID 86307384
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
9H-fluoren-9-ylmethyl carbamate;hydrochloride
CID 66959107
2-[(2R,4S)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-1-yl]acetic acid
CID 86307579

Frequently Asked Questions

What is the IUPAC name of acetic acid;9H-fluoren-9-ylmethyl 4-aminocyclohexane-1-carboxylate?
The IUPAC name of acetic acid;9H-fluoren-9-ylmethyl 4-aminocyclohexane-1-carboxylate (CID 53444085) is acetic acid;9H-fluoren-9-ylmethyl 4-aminocyclohexane-1-carboxylate.
What is the SMILES notation for acetic acid;9H-fluoren-9-ylmethyl 4-aminocyclohexane-1-carboxylate?
The canonical SMILES for acetic acid;9H-fluoren-9-ylmethyl 4-aminocyclohexane-1-carboxylate is CC(=O)O.NC1CCC(C(=O)OCC2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of acetic acid;9H-fluoren-9-ylmethyl 4-aminocyclohexane-1-carboxylate?
The InChIKey is QYICLSSFHGDMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2.C2H4O2/c22-15-11-9-14(10-12-15)21(23)24-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20;1-2(3)4/h1-8,14-15,20H,9-13,22H2;1H3,(H,3,4).
What are the key properties of acetic acid;9H-fluoren-9-ylmethyl 4-aminocyclohexane-1-carboxylate?
acetic acid;9H-fluoren-9-ylmethyl 4-aminocyclohexane-1-carboxylate has a molecular weight of 381.47 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;9H-fluoren-9-ylmethyl 4-aminocyclohexane-1-carboxylate is sourced from PubChem (CID 53444085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).