cis-prop-2-enyl (1R,2R)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxycyclopentane-1-carboxylate;methane

C26H33NO5 — CID 159560192

IUPACcis-prop-2-enyl (1R,2R)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxycyclopentane-1-carboxylate;methane
SMILESC.C.C=CCOC(=O)[C@@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCC[C@H]1O
InChIInChI=1S/C24H25NO5.2CH4/c1-2-14-29-22(27)24(13-7-12-21(24)26)25-23(28)30-15-20-18-10-5-3-8-16(18)17-9-4-6-11-19(17)20;;/h2-6,8-11,20-21,26H,1,7,12-15H2,(H,25,28);2*1H4/t21-,24-;;/m1../s1
InChIKeyMGMVEZVHADSJAJ-YONVIXBVSA-N
MW439.55 g/mol
LogP4.81
Rot. Bonds6

About cis-prop-2-enyl (1R,2R)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxycyclopentane-1-carboxylate;methane

cis-prop-2-enyl (1R,2R)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxycyclopentane-1-carboxylate;methane (PubChem CID 159560192) has the molecular formula C26H33NO5 and a molecular weight of 439.55 g/mol. Its IUPAC name is cis-prop-2-enyl (1R,2R)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxycyclopentane-1-carboxylate;methane.

Molecular Properties

Compound Namecis-prop-2-enyl (1R,2R)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxycyclopentane-1-carboxylate;methane
PubChem CID159560192
Molecular FormulaC26H33NO5
Molecular Weight439.55 g/mol
Exact Mass439.24
IUPAC Namecis-prop-2-enyl (1R,2R)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxycyclopentane-1-carboxylate;methane
SMILESC.C.C=CCOC(=O)[C@@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCC[C@H]1O
InChIInChI=1S/C24H25NO5.2CH4/c1-2-14-29-22(27)24(13-7-12-21(24)26)25-23(28)30-15-20-18-10-5-3-8-16(18)17-9-4-6-11-19(17)20;;/h2-6,8-11,20-21,26H,1,7,12-15H2,(H,25,28);2*1H4/t21-,24-;;/m1../s1
InChIKeyMGMVEZVHADSJAJ-YONVIXBVSA-N
XLogP4.81
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.55
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze cis-prop-2-enyl (1R,2R)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxycyclopentane-1-carboxylate;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1R,2S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxycyclopentane-1-carboxylic acid
CID 23397419
trans-prop-2-enyl (1R,2S)-1-[[9H-fluoren-9-ylmethoxy(hydroxy)methyl]amino]-2-hydroxycyclopentane-1-carboxylate
CID 142154291
trans-(1S,2R)-2-ethenyl-1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropane-1-carboxylic acid
CID 162342071
[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclooctyl] formate
CID 135186585
methyl 1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 21303770
diethyl (1S,2S,5R,6S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylidenebicyclo[3.1.0]hexane-2,6-dicarboxylate
CID 86691262
prop-2-enyl (E)-2-(9H-fluoren-9-ylmethoxycarbonylamino)but-2-enoate
CID 101348443
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[2.4]heptane-2-carboxylate
CID 129451733
(1R,5S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.2.0]heptane-3-carboxylic acid
CID 178200031
9H-fluoren-9-ylmethyl 1-aminocyclohexane-1-carboxylate
CID 71433298
1-O-(9H-fluoren-9-ylmethyl) 2-O-prop-2-enyl 3-hydroxypyrrolidine-1,2-dicarboxylate
CID 69050064
1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxycyclopentane-1-carboxylic acid
CID 22662155

Frequently Asked Questions

What is the IUPAC name of cis-prop-2-enyl (1R,2R)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxycyclopentane-1-carboxylate;methane?
The IUPAC name of cis-prop-2-enyl (1R,2R)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxycyclopentane-1-carboxylate;methane (CID 159560192) is cis-prop-2-enyl (1R,2R)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxycyclopentane-1-carboxylate;methane.
What is the SMILES notation for cis-prop-2-enyl (1R,2R)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxycyclopentane-1-carboxylate;methane?
The canonical SMILES for cis-prop-2-enyl (1R,2R)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxycyclopentane-1-carboxylate;methane is C.C.C=CCOC(=O)[C@@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCC[C@H]1O.
What is the InChIKey of cis-prop-2-enyl (1R,2R)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxycyclopentane-1-carboxylate;methane?
The InChIKey is MGMVEZVHADSJAJ-YONVIXBVSA-N. The full InChI is InChI=1S/C24H25NO5.2CH4/c1-2-14-29-22(27)24(13-7-12-21(24)26)25-23(28)30-15-20-18-10-5-3-8-16(18)17-9-4-6-11-19(17)20;;/h2-6,8-11,20-21,26H,1,7,12-15H2,(H,25,28);2*1H4/t21-,24-;;/m1../s1.
What are the key properties of cis-prop-2-enyl (1R,2R)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxycyclopentane-1-carboxylate;methane?
cis-prop-2-enyl (1R,2R)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxycyclopentane-1-carboxylate;methane has a molecular weight of 439.55 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-prop-2-enyl (1R,2R)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxycyclopentane-1-carboxylate;methane is sourced from PubChem (CID 159560192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).