CID 101238530

C26H31N2O5 — CID 101238530

IUPAC—
SMILESCOC(=O)[C@@H]1[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)CC(C)(C)N([O])C1(C)C
InChIInChI=1S/C26H31N2O5/c1-25(2)14-21(22(23(29)32-5)26(3,4)28(25)31)27-24(30)33-15-20-18-12-8-6-10-16(18)17-11-7-9-13-19(17)20/h6-13,20-22H,14-15H2,1-5H3,(H,27,30)/t21-,22+/m1/s1
InChIKeyUBNLGVAQCKEBPS-YADHBBJMSA-N
MW451.54 g/mol
LogP4.29
Rot. Bonds4

About CID 101238530

CID 101238530 (PubChem CID 101238530) has the molecular formula C26H31N2O5 and a molecular weight of 451.54 g/mol.

Molecular Properties

Compound NameCID 101238530
PubChem CID101238530
Molecular FormulaC26H31N2O5
Molecular Weight451.54 g/mol
Exact Mass451.22
IUPAC Name—
SMILESCOC(=O)[C@@H]1[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)CC(C)(C)N([O])C1(C)C
InChIInChI=1S/C26H31N2O5/c1-25(2)14-21(22(23(29)32-5)26(3,4)28(25)31)27-24(30)33-15-20-18-12-8-6-10-16(18)17-11-7-9-13-19(17)20/h6-13,20-22H,14-15H2,1-5H3,(H,27,30)/t21-,22+/m1/s1
InChIKeyUBNLGVAQCKEBPS-YADHBBJMSA-N
XLogP4.29
TPSA87.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.54
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylcyclobutane-1-carboxylic acid
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9H-fluoren-9-ylmethyl N-(2-methylcyclohexyl)carbamate
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(1R,5S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.2.0]heptane-3-carboxylic acid
CID 178200031
9H-fluoren-9-ylmethyl N-[(3R,4S)-4-hydroxyoxolan-3-yl]carbamate
CID 130689635
(1S,2S,3S,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylic acid
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2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 4712584
1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-3-methylcyclobutane-1-carboxylic acid
CID 146109638
methyl 1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 21303770
9H-fluoren-9-ylmethyl N-(methylamino)carbamate
CID 10516035
CID 11456718
CID 11456718

Frequently Asked Questions

What is the IUPAC name of CID 101238530?
The IUPAC name of CID 101238530 (CID 101238530) is not available.
What is the SMILES notation for CID 101238530?
The canonical SMILES for CID 101238530 is COC(=O)[C@@H]1[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)CC(C)(C)N([O])C1(C)C.
What is the InChIKey of CID 101238530?
The InChIKey is UBNLGVAQCKEBPS-YADHBBJMSA-N. The full InChI is InChI=1S/C26H31N2O5/c1-25(2)14-21(22(23(29)32-5)26(3,4)28(25)31)27-24(30)33-15-20-18-12-8-6-10-16(18)17-11-7-9-13-19(17)20/h6-13,20-22H,14-15H2,1-5H3,(H,27,30)/t21-,22+/m1/s1.
What are the key properties of CID 101238530?
CID 101238530 has a molecular weight of 451.54 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101238530 is sourced from PubChem (CID 101238530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).