4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2,2-dimethyloxane-4-carboxylic acid

C24H27NO5 — CID 165479015

IUPAC4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2,2-dimethyloxane-4-carboxylic acid
SMILESCC1(C)CC(CNC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)O)CCO1
InChIInChI=1S/C24H27NO5/c1-23(2)14-24(21(26)27,11-12-30-23)15-25-22(28)29-13-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,20H,11-15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeySRLNZLBCKGXYIQ-UHFFFAOYSA-N
MW409.48 g/mol
LogP4.19
Rot. Bonds5

About 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2,2-dimethyloxane-4-carboxylic acid

4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2,2-dimethyloxane-4-carboxylic acid (PubChem CID 165479015) has the molecular formula C24H27NO5 and a molecular weight of 409.48 g/mol. Its IUPAC name is 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2,2-dimethyloxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2,2-dimethyloxane-4-carboxylic acid
PubChem CID165479015
Molecular FormulaC24H27NO5
Molecular Weight409.48 g/mol
Exact Mass409.19
IUPAC Name4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2,2-dimethyloxane-4-carboxylic acid
SMILESCC1(C)CC(CNC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)O)CCO1
InChIInChI=1S/C24H27NO5/c1-23(2)14-24(21(26)27,11-12-30-23)15-25-22(28)29-13-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,20H,11-15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeySRLNZLBCKGXYIQ-UHFFFAOYSA-N
XLogP4.19
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2,2-dimethyloxane-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

4-[[[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropyl]acetyl]amino]methyl]oxane-4-carboxylic acid
CID 165446570
9H-fluoren-9-ylmethyl N-[(1-carbonochloridoylcyclohexyl)methyl]carbamate
CID 118380482
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(2-methyl-1,3-dioxolan-2-yl)acetic acid
CID 135151747
8-(9H-fluoren-9-ylmethoxycarbonylamino)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
CID 1268221
1-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxymethyl]cyclopropane-1-carboxylic acid
CID 151028370
1-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 165463816
1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-3-methylcyclobutane-1-carboxylic acid
CID 146109638
9H-fluoren-9-ylmethyl N-[(1-hydroxy-2-methylcyclopentyl)methyl]carbamate
CID 130649597
9H-fluoren-9-ylmethyl N-[(4-ethyl-1-hydroxycyclohexyl)methyl]carbamate
CID 65121619
7-[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 165480858
trans-(1S,2R)-2-[[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 178193712
9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)carbamate
CID 11758879

Frequently Asked Questions

What is the IUPAC name of 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2,2-dimethyloxane-4-carboxylic acid?
The IUPAC name of 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2,2-dimethyloxane-4-carboxylic acid (CID 165479015) is 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2,2-dimethyloxane-4-carboxylic acid.
What is the SMILES notation for 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2,2-dimethyloxane-4-carboxylic acid?
The canonical SMILES for 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2,2-dimethyloxane-4-carboxylic acid is CC1(C)CC(CNC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)O)CCO1.
What is the InChIKey of 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2,2-dimethyloxane-4-carboxylic acid?
The InChIKey is SRLNZLBCKGXYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO5/c1-23(2)14-24(21(26)27,11-12-30-23)15-25-22(28)29-13-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,20H,11-15H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2,2-dimethyloxane-4-carboxylic acid?
4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2,2-dimethyloxane-4-carboxylic acid has a molecular weight of 409.48 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2,2-dimethyloxane-4-carboxylic acid is sourced from PubChem (CID 165479015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).