2-[7-(9H-fluoren-9-ylmethoxycarbonyl)-7-azabicyclo[2.2.1]heptan-1-yl]acetic acid

C23H23NO4 — CID 165478738

IUPAC2-[7-(9H-fluoren-9-ylmethoxycarbonyl)-7-azabicyclo[2.2.1]heptan-1-yl]acetic acid
SMILESO=C(O)CC12CCC(CC1)N2C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H23NO4/c25-21(26)13-23-11-9-15(10-12-23)24(23)22(27)28-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,15,20H,9-14H2,(H,25,26)
InChIKeyLNMLNWYRYFTIPS-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.41
Rot. Bonds4

About 2-[7-(9H-fluoren-9-ylmethoxycarbonyl)-7-azabicyclo[2.2.1]heptan-1-yl]acetic acid

2-[7-(9H-fluoren-9-ylmethoxycarbonyl)-7-azabicyclo[2.2.1]heptan-1-yl]acetic acid (PubChem CID 165478738) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-[7-(9H-fluoren-9-ylmethoxycarbonyl)-7-azabicyclo[2.2.1]heptan-1-yl]acetic acid.

Molecular Properties

Compound Name2-[7-(9H-fluoren-9-ylmethoxycarbonyl)-7-azabicyclo[2.2.1]heptan-1-yl]acetic acid
PubChem CID165478738
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name2-[7-(9H-fluoren-9-ylmethoxycarbonyl)-7-azabicyclo[2.2.1]heptan-1-yl]acetic acid
SMILESO=C(O)CC12CCC(CC1)N2C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H23NO4/c25-21(26)13-23-11-9-15(10-12-23)24(23)22(27)28-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,15,20H,9-14H2,(H,25,26)
InChIKeyLNMLNWYRYFTIPS-UHFFFAOYSA-N
XLogP4.41
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[7-(9H-fluoren-9-ylmethoxycarbonyl)-7-azabicyclo[2.2.1]heptan-1-yl]acetic acid with MolForge

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Related Compounds

1-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 161453586
4-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 165179277
2-[1-[10-(9H-fluoren-9-ylmethoxy)-2,10-dioxodecyl]cyclopentyl]acetic acid
CID 162244816
9H-fluoren-9-ylmethyl 1-aminocyclohexane-1-carboxylate
CID 71433298
5-(9H-fluoren-9-ylmethoxycarbonyl)-5-azaspiro[3.4]octane-7-carboxylic acid
CID 138991406
2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)thian-4-yl]acetic acid
CID 17040197
9H-fluoren-9-ylmethyl 2,2-dioxooxathiazinane-3-carboxylate
CID 89034992
9H-fluoren-9-ylmethyl 3-amino-3-carbamoyl-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171936457
4-cyclopropyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 167725398
2-[1-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptanecarbonyl]amino]cyclopropyl]acetic acid
CID 178196369
9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate
CID 171525727
9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate
CID 2756439

Frequently Asked Questions

What is the IUPAC name of 2-[7-(9H-fluoren-9-ylmethoxycarbonyl)-7-azabicyclo[2.2.1]heptan-1-yl]acetic acid?
The IUPAC name of 2-[7-(9H-fluoren-9-ylmethoxycarbonyl)-7-azabicyclo[2.2.1]heptan-1-yl]acetic acid (CID 165478738) is 2-[7-(9H-fluoren-9-ylmethoxycarbonyl)-7-azabicyclo[2.2.1]heptan-1-yl]acetic acid.
What is the SMILES notation for 2-[7-(9H-fluoren-9-ylmethoxycarbonyl)-7-azabicyclo[2.2.1]heptan-1-yl]acetic acid?
The canonical SMILES for 2-[7-(9H-fluoren-9-ylmethoxycarbonyl)-7-azabicyclo[2.2.1]heptan-1-yl]acetic acid is O=C(O)CC12CCC(CC1)N2C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[7-(9H-fluoren-9-ylmethoxycarbonyl)-7-azabicyclo[2.2.1]heptan-1-yl]acetic acid?
The InChIKey is LNMLNWYRYFTIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c25-21(26)13-23-11-9-15(10-12-23)24(23)22(27)28-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,15,20H,9-14H2,(H,25,26).
What are the key properties of 2-[7-(9H-fluoren-9-ylmethoxycarbonyl)-7-azabicyclo[2.2.1]heptan-1-yl]acetic acid?
2-[7-(9H-fluoren-9-ylmethoxycarbonyl)-7-azabicyclo[2.2.1]heptan-1-yl]acetic acid has a molecular weight of 377.44 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(9H-fluoren-9-ylmethoxycarbonyl)-7-azabicyclo[2.2.1]heptan-1-yl]acetic acid is sourced from PubChem (CID 165478738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).