3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid

C26H26N2O6 — CID 165478140

IUPAC3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
SMILESO=C(NC1(C(=O)N2CC3C(C2)C3C(=O)O)CCOC1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H26N2O6/c29-23(30)22-19-11-28(12-20(19)22)24(31)26(9-10-33-14-26)27-25(32)34-13-21-17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-8,19-22H,9-14H2,(H,27,32)(H,29,30)
InChIKeyNQTZJEOQNMCMDH-UHFFFAOYSA-N
MW462.50 g/mol
LogP2.47
Rot. Bonds5

About 3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid

3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid (PubChem CID 165478140) has the molecular formula C26H26N2O6 and a molecular weight of 462.50 g/mol. Its IUPAC name is 3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid.

Molecular Properties

Compound Name3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
PubChem CID165478140
Molecular FormulaC26H26N2O6
Molecular Weight462.50 g/mol
Exact Mass462.18
IUPAC Name3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
SMILESO=C(NC1(C(=O)N2CC3C(C2)C3C(=O)O)CCOC1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H26N2O6/c29-23(30)22-19-11-28(12-20(19)22)24(31)26(9-10-33-14-26)27-25(32)34-13-21-17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-8,19-22H,9-14H2,(H,27,32)(H,29,30)
InChIKeyNQTZJEOQNMCMDH-UHFFFAOYSA-N
XLogP2.47
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid with MolForge

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Related Compounds

3-[1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]azetidin-3-yl]propanoic acid
CID 165499462
(2S,3S)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]-2-methylpiperidine-3-carboxylic acid
CID 178192303
2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)oxane-4-carbonyl]-2-azabicyclo[2.1.1]hexane-5-carboxylic acid
CID 165448897
cis-(1S,3R)-3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 178190848
9H-fluoren-9-ylmethyl N-[3-(hydroxymethyl)oxolan-3-yl]carbamate
CID 130950344
2-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)oxane-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 165488157
8-(9H-fluoren-9-ylmethoxycarbonylamino)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
CID 1268221
3-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]oxolane-3-carboxylic acid
CID 178191221
3-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 165478904
(1S,6R)-3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
CID 178193858
(2R,4R)-1-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropanecarbonyl]-2-methylpiperidine-4-carboxylic acid
CID 165447074
4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,1-dioxothiane-4-carboxylic acid
CID 1268237

Frequently Asked Questions

What is the IUPAC name of 3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
The IUPAC name of 3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid (CID 165478140) is 3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid.
What is the SMILES notation for 3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
The canonical SMILES for 3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid is O=C(NC1(C(=O)N2CC3C(C2)C3C(=O)O)CCOC1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
The InChIKey is NQTZJEOQNMCMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O6/c29-23(30)22-19-11-28(12-20(19)22)24(31)26(9-10-33-14-26)27-25(32)34-13-21-17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-8,19-22H,9-14H2,(H,27,32)(H,29,30).
What are the key properties of 3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid has a molecular weight of 462.50 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid is sourced from PubChem (CID 165478140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).