1-(9H-fluoren-9-ylmethoxycarbonyl)-3-(phenylmethoxymethyl)azetidine-3-carboxylic acid

C27H25NO5 — CID 154814384

IUPAC1-(9H-fluoren-9-ylmethoxycarbonyl)-3-(phenylmethoxymethyl)azetidine-3-carboxylic acid
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1CC(COCc2ccccc2)(C(=O)O)C1
InChIInChI=1S/C27H25NO5/c29-25(30)27(18-32-14-19-8-2-1-3-9-19)16-28(17-27)26(31)33-15-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h1-13,24H,14-18H2,(H,29,30)
InChIKeyNFHAOVPRYQTZRD-UHFFFAOYSA-N
MW443.50 g/mol
LogP4.54
Rot. Bonds7

About 1-(9H-fluoren-9-ylmethoxycarbonyl)-3-(phenylmethoxymethyl)azetidine-3-carboxylic acid

1-(9H-fluoren-9-ylmethoxycarbonyl)-3-(phenylmethoxymethyl)azetidine-3-carboxylic acid (PubChem CID 154814384) has the molecular formula C27H25NO5 and a molecular weight of 443.50 g/mol. Its IUPAC name is 1-(9H-fluoren-9-ylmethoxycarbonyl)-3-(phenylmethoxymethyl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(9H-fluoren-9-ylmethoxycarbonyl)-3-(phenylmethoxymethyl)azetidine-3-carboxylic acid
PubChem CID154814384
Molecular FormulaC27H25NO5
Molecular Weight443.50 g/mol
Exact Mass443.17
IUPAC Name1-(9H-fluoren-9-ylmethoxycarbonyl)-3-(phenylmethoxymethyl)azetidine-3-carboxylic acid
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1CC(COCc2ccccc2)(C(=O)O)C1
InChIInChI=1S/C27H25NO5/c29-25(30)27(18-32-14-19-8-2-1-3-9-19)16-28(17-27)26(31)33-15-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h1-13,24H,14-18H2,(H,29,30)
InChIKeyNFHAOVPRYQTZRD-UHFFFAOYSA-N
XLogP4.54
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(9H-fluoren-9-ylmethoxycarbonyl)-3-(methoxymethyl)azetidine-3-carboxylic acid
CID 139026343
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(phenylmethoxymethyl)azetidine-3-carboxylic acid
CID 130942511
3-(hydroxymethyl)-1-phenylmethoxycarbonylazetidine-3-carboxylic acid
CID 68530600
3-(9H-fluoren-9-ylmethoxycarbonyl)-5-(hydroxymethyl)-3-azabicyclo[3.1.1]heptane-1-carboxylic acid
CID 167722618
1-O-(9H-fluoren-9-ylmethyl) 4-O-[(4-phenylmethoxyphenyl)methyl] piperazine-1,4-dicarboxylate
CID 69140720
9H-fluoren-9-ylmethyl 4-benzylpiperidine-1-carboxylate
CID 102221470
4-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 165179277
9H-fluoren-9-ylmethyl 3-hydroxy-3-(methoxymethyl)azetidine-1-carboxylate
CID 130962442
4-cyano-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 154879025
1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid
CID 19767634
(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid
CID 45073932
9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate
CID 171525727

Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-9-ylmethoxycarbonyl)-3-(phenylmethoxymethyl)azetidine-3-carboxylic acid?
The IUPAC name of 1-(9H-fluoren-9-ylmethoxycarbonyl)-3-(phenylmethoxymethyl)azetidine-3-carboxylic acid (CID 154814384) is 1-(9H-fluoren-9-ylmethoxycarbonyl)-3-(phenylmethoxymethyl)azetidine-3-carboxylic acid.
What is the SMILES notation for 1-(9H-fluoren-9-ylmethoxycarbonyl)-3-(phenylmethoxymethyl)azetidine-3-carboxylic acid?
The canonical SMILES for 1-(9H-fluoren-9-ylmethoxycarbonyl)-3-(phenylmethoxymethyl)azetidine-3-carboxylic acid is O=C(OCC1c2ccccc2-c2ccccc21)N1CC(COCc2ccccc2)(C(=O)O)C1.
What is the InChIKey of 1-(9H-fluoren-9-ylmethoxycarbonyl)-3-(phenylmethoxymethyl)azetidine-3-carboxylic acid?
The InChIKey is NFHAOVPRYQTZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO5/c29-25(30)27(18-32-14-19-8-2-1-3-9-19)16-28(17-27)26(31)33-15-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h1-13,24H,14-18H2,(H,29,30).
What are the key properties of 1-(9H-fluoren-9-ylmethoxycarbonyl)-3-(phenylmethoxymethyl)azetidine-3-carboxylic acid?
1-(9H-fluoren-9-ylmethoxycarbonyl)-3-(phenylmethoxymethyl)azetidine-3-carboxylic acid has a molecular weight of 443.50 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-9-ylmethoxycarbonyl)-3-(phenylmethoxymethyl)azetidine-3-carboxylic acid is sourced from PubChem (CID 154814384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).