2-[1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoyl]azetidin-3-yl]propanoic acid

C28H34N2O5 — CID 165461626

IUPAC2-[1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoyl]azetidin-3-yl]propanoic acid
SMILESCCCCC(CC(=O)N1CC(C(C)C(=O)O)C1)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H34N2O5/c1-3-4-9-20(14-26(31)30-15-19(16-30)18(2)27(32)33)29-28(34)35-17-25-23-12-7-5-10-21(23)22-11-6-8-13-24(22)25/h5-8,10-13,18-20,25H,3-4,9,14-17H2,1-2H3,(H,29,34)(H,32,33)
InChIKeyWVUHZEAFWLVEJM-UHFFFAOYSA-N
MW478.59 g/mol
LogP4.65
Rot. Bonds10

About 2-[1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoyl]azetidin-3-yl]propanoic acid

2-[1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoyl]azetidin-3-yl]propanoic acid (PubChem CID 165461626) has the molecular formula C28H34N2O5 and a molecular weight of 478.59 g/mol. Its IUPAC name is 2-[1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoyl]azetidin-3-yl]propanoic acid
PubChem CID165461626
Molecular FormulaC28H34N2O5
Molecular Weight478.59 g/mol
Exact Mass478.25
IUPAC Name2-[1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoyl]azetidin-3-yl]propanoic acid
SMILESCCCCC(CC(=O)N1CC(C(C)C(=O)O)C1)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H34N2O5/c1-3-4-9-20(14-26(31)30-15-19(16-30)18(2)27(32)33)29-28(34)35-17-25-23-12-7-5-10-21(23)22-11-6-8-13-24(22)25/h5-8,10-13,18-20,25H,3-4,9,14-17H2,1-2H3,(H,29,34)(H,32,33)
InChIKeyWVUHZEAFWLVEJM-UHFFFAOYSA-N
XLogP4.65
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoyl]azetidin-3-yl]propanoic acid with MolForge

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Related Compounds

(3R,4R)-1-[(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 178193047
(3R,4R)-1-[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 178198448
(2R)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]-3-methylbutanoic acid
CID 165461568
(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)nonanoic acid
CID 95897978
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxyhexan-2-yl]carbamate
CID 57359373
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 2756111
2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 165456115
9H-fluoren-9-ylmethyl N-heptan-2-ylcarbamate
CID 118461270
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;tetramethylazanium;chloride
CID 131676595
9H-fluoren-9-ylmethyl N-hexan-3-ylcarbamate
CID 118461263
(3R,4R)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]-3,4-dimethylpyrrolidine-3-carboxylic acid
CID 178202916
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)dodecanoic acid
CID 118098305

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoyl]azetidin-3-yl]propanoic acid (CID 165461626) is 2-[1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoyl]azetidin-3-yl]propanoic acid is CCCCC(CC(=O)N1CC(C(C)C(=O)O)C1)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoyl]azetidin-3-yl]propanoic acid?
The InChIKey is WVUHZEAFWLVEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O5/c1-3-4-9-20(14-26(31)30-15-19(16-30)18(2)27(32)33)29-28(34)35-17-25-23-12-7-5-10-21(23)22-11-6-8-13-24(22)25/h5-8,10-13,18-20,25H,3-4,9,14-17H2,1-2H3,(H,29,34)(H,32,33).
What are the key properties of 2-[1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoyl]azetidin-3-yl]propanoic acid?
2-[1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoyl]azetidin-3-yl]propanoic acid has a molecular weight of 478.59 g/mol, XLogP of 4.65, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 165461626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).