2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-7-oxa-4-azaspiro[2.5]octan-6-yl]acetic acid

C23H23NO5 — CID 146155351

IUPAC2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-7-oxa-4-azaspiro[2.5]octan-6-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C2(CC2)CO1
InChIInChI=1S/C23H23NO5/c25-21(26)11-15-12-24(23(9-10-23)14-29-15)22(27)28-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,15,20H,9-14H2,(H,25,26)
InChIKeyVPZLTUZPRMMHDC-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.64
Rot. Bonds4

About 2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-7-oxa-4-azaspiro[2.5]octan-6-yl]acetic acid

2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-7-oxa-4-azaspiro[2.5]octan-6-yl]acetic acid (PubChem CID 146155351) has the molecular formula C23H23NO5 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-7-oxa-4-azaspiro[2.5]octan-6-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-7-oxa-4-azaspiro[2.5]octan-6-yl]acetic acid
PubChem CID146155351
Molecular FormulaC23H23NO5
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC Name2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-7-oxa-4-azaspiro[2.5]octan-6-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C2(CC2)CO1
InChIInChI=1S/C23H23NO5/c25-21(26)11-15-12-24(23(9-10-23)14-29-15)22(27)28-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,15,20H,9-14H2,(H,25,26)
InChIKeyVPZLTUZPRMMHDC-UHFFFAOYSA-N
XLogP3.64
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-7-oxa-4-azaspiro[2.5]octan-6-yl]acetic acid with MolForge

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Related Compounds

2-[(2R,5R)-4-(9H-fluoren-9-ylmethoxycarbonyl)-5-methylmorpholin-2-yl]acetic acid
CID 170914115
5-(9H-fluoren-9-ylmethoxycarbonyl)-5-azaspiro[3.4]octane-7-carboxylic acid
CID 138991406
9H-fluoren-9-ylmethyl 8-oxo-1-azaspiro[4.5]decane-1-carboxylate
CID 58574221
2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3-fluoropyrrolidin-2-yl]acetic acid
CID 165452018
2-[7-(9H-fluoren-9-ylmethoxycarbonyl)-7-azabicyclo[2.2.1]heptan-1-yl]acetic acid
CID 165478738
(3aS,6aR)-5-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,6,6a-tetrahydro-2H-furo[2,3-c]pyrrole-3a-carboxylic acid
CID 155820155
4-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 165179277
2-[(2S,4S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methoxypyrrolidin-2-yl]acetic acid
CID 155821603
9H-fluoren-9-ylmethyl 3-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 76652146
1-(9H-fluoren-9-ylmethoxycarbonyl)-5-hydroxypiperidine-2-carboxylic acid
CID 90456877
2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-2H-quinolin-2-yl]acetic acid
CID 132771919
2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-2-oxopiperazin-1-yl]acetic acid
CID 17040176

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-7-oxa-4-azaspiro[2.5]octan-6-yl]acetic acid?
The IUPAC name of 2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-7-oxa-4-azaspiro[2.5]octan-6-yl]acetic acid (CID 146155351) is 2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-7-oxa-4-azaspiro[2.5]octan-6-yl]acetic acid.
What is the SMILES notation for 2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-7-oxa-4-azaspiro[2.5]octan-6-yl]acetic acid?
The canonical SMILES for 2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-7-oxa-4-azaspiro[2.5]octan-6-yl]acetic acid is O=C(O)CC1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C2(CC2)CO1.
What is the InChIKey of 2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-7-oxa-4-azaspiro[2.5]octan-6-yl]acetic acid?
The InChIKey is VPZLTUZPRMMHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5/c25-21(26)11-15-12-24(23(9-10-23)14-29-15)22(27)28-13-20-18-7-3-1-5-16(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-[4-(9H-fluoren-9-ylmethoxycarbonyl)-7-oxa-4-azaspiro[2.5]octan-6-yl]acetic acid?
2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-7-oxa-4-azaspiro[2.5]octan-6-yl]acetic acid has a molecular weight of 393.44 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-7-oxa-4-azaspiro[2.5]octan-6-yl]acetic acid is sourced from PubChem (CID 146155351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).