1-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylcyclobutane-1-carboxylic acid

C22H23NO4 — CID 103563622

IUPAC1-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylcyclobutane-1-carboxylic acid
SMILESCC1CC(C(=O)O)(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C22H23NO4/c1-14-11-22(12-14,20(24)25)23(2)21(26)27-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19H,11-13H2,1-2H3,(H,24,25)
InChIKeyHDMOHTROXJHBJO-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.12
Rot. Bonds4

About 1-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylcyclobutane-1-carboxylic acid

1-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylcyclobutane-1-carboxylic acid (PubChem CID 103563622) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylcyclobutane-1-carboxylic acid
PubChem CID103563622
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name1-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylcyclobutane-1-carboxylic acid
SMILESCC1CC(C(=O)O)(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C22H23NO4/c1-14-11-22(12-14,20(24)25)23(2)21(26)27-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19H,11-13H2,1-2H3,(H,24,25)
InChIKeyHDMOHTROXJHBJO-UHFFFAOYSA-N
XLogP4.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

1-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
CID 165469394
9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate
CID 10563828
1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylcyclobutane-1-carboxylic acid
CID 103563616
cis-(1S,2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 170917274
9H-fluoren-9-ylmethyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 167441327
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl((113C)methyl)(15N)amino]-3-(113C)methyl(1,2,3,4-13C4)butanoic acid
CID 117065495
cis-(1R,2S)-1-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropane-1-carboxylic acid
CID 86307384
1-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-3-methoxycyclohexane-1-carboxylic acid
CID 106873175
1-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-3-propan-2-ylcyclohexane-1-carboxylic acid
CID 107449447
9H-fluoren-9-ylmethyl N-amino-N-phenylcarbamate
CID 155637511
3-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-1-methylpiperidine-3-carboxylic acid
CID 103821509
2-cyclopentyl-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
CID 22259969

Frequently Asked Questions

What is the IUPAC name of 1-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylcyclobutane-1-carboxylic acid?
The IUPAC name of 1-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylcyclobutane-1-carboxylic acid (CID 103563622) is 1-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylcyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylcyclobutane-1-carboxylic acid is CC1CC(C(=O)O)(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)C1.
What is the InChIKey of 1-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylcyclobutane-1-carboxylic acid?
The InChIKey is HDMOHTROXJHBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-14-11-22(12-14,20(24)25)23(2)21(26)27-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19H,11-13H2,1-2H3,(H,24,25).
What are the key properties of 1-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylcyclobutane-1-carboxylic acid?
1-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylcyclobutane-1-carboxylic acid has a molecular weight of 365.43 g/mol, XLogP of 4.12, 4 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(methyl)amino]-3-methylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 103563622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).