3-[1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]azetidin-3-yl]propanoic acid

C26H28N2O6 — CID 165499462

IUPAC3-[1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]azetidin-3-yl]propanoic acid
SMILESO=C(O)CCC1CN(C(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CCOC2)C1
InChIInChI=1S/C26H28N2O6/c29-23(30)10-9-17-13-28(14-17)24(31)26(11-12-33-16-26)27-25(32)34-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-8,17,22H,9-16H2,(H,27,32)(H,29,30)
InChIKeyVYQYCKHPOVBYGM-UHFFFAOYSA-N
MW464.52 g/mol
LogP3.01
Rot. Bonds7

About 3-[1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]azetidin-3-yl]propanoic acid

3-[1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]azetidin-3-yl]propanoic acid (PubChem CID 165499462) has the molecular formula C26H28N2O6 and a molecular weight of 464.52 g/mol. Its IUPAC name is 3-[1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]azetidin-3-yl]propanoic acid
PubChem CID165499462
Molecular FormulaC26H28N2O6
Molecular Weight464.52 g/mol
Exact Mass464.19
IUPAC Name3-[1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]azetidin-3-yl]propanoic acid
SMILESO=C(O)CCC1CN(C(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CCOC2)C1
InChIInChI=1S/C26H28N2O6/c29-23(30)10-9-17-13-28(14-17)24(31)26(11-12-33-16-26)27-25(32)34-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-8,17,22H,9-16H2,(H,27,32)(H,29,30)
InChIKeyVYQYCKHPOVBYGM-UHFFFAOYSA-N
XLogP3.01
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]azetidin-3-yl]propanoic acid with MolForge

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Related Compounds

3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 165478140
(2S,3S)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]-2-methylpiperidine-3-carboxylic acid
CID 178192303
3-[1-[(1R,3R,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-1-carbonyl]azetidin-3-yl]propanoic acid
CID 178202494
9H-fluoren-9-ylmethyl N-[3-(hydroxymethyl)oxolan-3-yl]carbamate
CID 130950344
cis-(1S,3R)-3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 178190848
2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)oxane-4-carbonyl]-2-azabicyclo[2.1.1]hexane-5-carboxylic acid
CID 165448897
8-(9H-fluoren-9-ylmethoxycarbonylamino)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
CID 1268221
3-[1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2,2-dimethylpropanoyl]pyrrolidin-3-yl]propanoic acid
CID 165459626
3-[1-[5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-oxazole-4-carbonyl]azetidin-3-yl]propanoic acid
CID 165447278
2-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)oxane-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 165488157
3-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]oxolane-3-carboxylic acid
CID 178191221
4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,1-dioxothiane-4-carboxylic acid
CID 1268237

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]azetidin-3-yl]propanoic acid (CID 165499462) is 3-[1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]azetidin-3-yl]propanoic acid is O=C(O)CCC1CN(C(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CCOC2)C1.
What is the InChIKey of 3-[1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]azetidin-3-yl]propanoic acid?
The InChIKey is VYQYCKHPOVBYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O6/c29-23(30)10-9-17-13-28(14-17)24(31)26(11-12-33-16-26)27-25(32)34-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-8,17,22H,9-16H2,(H,27,32)(H,29,30).
What are the key properties of 3-[1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]azetidin-3-yl]propanoic acid?
3-[1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]azetidin-3-yl]propanoic acid has a molecular weight of 464.52 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 165499462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).