methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[2.4]heptane-2-carboxylate

C24H25NO4 — CID 129451733

IUPACmethyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[2.4]heptane-2-carboxylate
SMILESCOC(=O)[C@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC12CCCC2
InChIInChI=1S/C24H25NO4/c1-28-21(26)24(15-23(24)12-6-7-13-23)25-22(27)29-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h2-5,8-11,20H,6-7,12-15H2,1H3,(H,25,27)/t24-/m1/s1
InChIKeyOICLRYMLVGSWIH-XMMPIXPASA-N
MW391.47 g/mol
LogP4.40
Rot. Bonds4

About methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[2.4]heptane-2-carboxylate

methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[2.4]heptane-2-carboxylate (PubChem CID 129451733) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[2.4]heptane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[2.4]heptane-2-carboxylate
PubChem CID129451733
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Namemethyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[2.4]heptane-2-carboxylate
SMILESCOC(=O)[C@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC12CCCC2
InChIInChI=1S/C24H25NO4/c1-28-21(26)24(15-23(24)12-6-7-13-23)25-22(27)29-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h2-5,8-11,20H,6-7,12-15H2,1H3,(H,25,27)/t24-/m1/s1
InChIKeyOICLRYMLVGSWIH-XMMPIXPASA-N
XLogP4.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 21303770
methyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidine-4-carboxylate
CID 11718644
tert-butyl 1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohenicosane-1-carboxylate
CID 11399449
[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclooctyl] formate
CID 135186585
9H-fluoren-9-ylmethyl N-[1-(cyanomethylcarbamoyl)cyclohexyl]carbamate
CID 87708365
methyl 3-(9H-fluoren-9-ylmethoxycarbonylamino)-9-oxo-9λ4-thiabicyclo[3.3.1]nonane-3-carboxylate
CID 171951058
4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,1-dioxothiane-4-carboxylic acid
CID 1268237
1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-3-methylcyclobutane-1-carboxylic acid
CID 146109638
trans-(1R,2S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxycyclopentane-1-carboxylic acid
CID 23397419
9H-fluoren-9-ylmethyl 1-aminocyclohexane-1-carboxylate
CID 71433298
1-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-difluorocyclopentane-1-carboxylic acid
CID 171397176
9H-fluoren-9-ylmethyl N-[(1-hydroxy-2-methylcyclopentyl)methyl]carbamate
CID 130649597

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[2.4]heptane-2-carboxylate?
The IUPAC name of methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[2.4]heptane-2-carboxylate (CID 129451733) is methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[2.4]heptane-2-carboxylate.
What is the SMILES notation for methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[2.4]heptane-2-carboxylate?
The canonical SMILES for methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[2.4]heptane-2-carboxylate is COC(=O)[C@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC12CCCC2.
What is the InChIKey of methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[2.4]heptane-2-carboxylate?
The InChIKey is OICLRYMLVGSWIH-XMMPIXPASA-N. The full InChI is InChI=1S/C24H25NO4/c1-28-21(26)24(15-23(24)12-6-7-13-23)25-22(27)29-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h2-5,8-11,20H,6-7,12-15H2,1H3,(H,25,27)/t24-/m1/s1.
What are the key properties of methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[2.4]heptane-2-carboxylate?
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[2.4]heptane-2-carboxylate has a molecular weight of 391.47 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[2.4]heptane-2-carboxylate is sourced from PubChem (CID 129451733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).