trans-prop-2-enyl (1R,2S)-1-[[9H-fluoren-9-ylmethoxy(hydroxy)methyl]amino]-2-hydroxycyclopentane-1-carboxylate

C24H27NO5 — CID 142154291

IUPACtrans-prop-2-enyl (1R,2S)-1-[[9H-fluoren-9-ylmethoxy(hydroxy)methyl]amino]-2-hydroxycyclopentane-1-carboxylate
SMILESC=CCOC(=O)[C@@]1(NC(O)OCC2c3ccccc3-c3ccccc32)CCC[C@@H]1O
InChIInChI=1S/C24H27NO5/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/h2-6,8-11,20-21,23,25-26,28H,1,7,12-15H2/t21-,23?,24+/m0/s1
InChIKeyUCYAHTQMAVQOIB-FYFGAKMPSA-N
MW409.48 g/mol
LogP2.69
Rot. Bonds8

About trans-prop-2-enyl (1R,2S)-1-[[9H-fluoren-9-ylmethoxy(hydroxy)methyl]amino]-2-hydroxycyclopentane-1-carboxylate

trans-prop-2-enyl (1R,2S)-1-[[9H-fluoren-9-ylmethoxy(hydroxy)methyl]amino]-2-hydroxycyclopentane-1-carboxylate (PubChem CID 142154291) has the molecular formula C24H27NO5 and a molecular weight of 409.48 g/mol. Its IUPAC name is trans-prop-2-enyl (1R,2S)-1-[[9H-fluoren-9-ylmethoxy(hydroxy)methyl]amino]-2-hydroxycyclopentane-1-carboxylate.

Molecular Properties

Compound Nametrans-prop-2-enyl (1R,2S)-1-[[9H-fluoren-9-ylmethoxy(hydroxy)methyl]amino]-2-hydroxycyclopentane-1-carboxylate
PubChem CID142154291
Molecular FormulaC24H27NO5
Molecular Weight409.48 g/mol
Exact Mass409.19
IUPAC Nametrans-prop-2-enyl (1R,2S)-1-[[9H-fluoren-9-ylmethoxy(hydroxy)methyl]amino]-2-hydroxycyclopentane-1-carboxylate
SMILESC=CCOC(=O)[C@@]1(NC(O)OCC2c3ccccc3-c3ccccc32)CCC[C@@H]1O
InChIInChI=1S/C24H27NO5/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/h2-6,8-11,20-21,23,25-26,28H,1,7,12-15H2/t21-,23?,24+/m0/s1
InChIKeyUCYAHTQMAVQOIB-FYFGAKMPSA-N
XLogP2.69
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze trans-prop-2-enyl (1R,2S)-1-[[9H-fluoren-9-ylmethoxy(hydroxy)methyl]amino]-2-hydroxycyclopentane-1-carboxylate with MolForge

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Related Compounds

cis-prop-2-enyl (1R,2R)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxycyclopentane-1-carboxylate;methane
CID 159560192
trans-(1R,2S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxycyclopentane-1-carboxylic acid
CID 23397419
1-O-(9H-fluoren-9-ylmethyl) 2-O-prop-2-enyl 3-hydroxypyrrolidine-1,2-dicarboxylate
CID 69050064
9H-fluoren-9-ylmethyl 1-aminocyclohexane-1-carboxylate
CID 71433298
1-O-methyl 4-O-prop-2-enyl (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]butanedioate
CID 169230600
trans-(1S,2R)-2-ethenyl-1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropane-1-carboxylic acid
CID 162342071
prop-2-enyl (E)-2-(9H-fluoren-9-ylmethoxycarbonylamino)but-2-enoate
CID 101348443
diethyl (1S,2S,5R,6S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylidenebicyclo[3.1.0]hexane-2,6-dicarboxylate
CID 86691262
tert-butyl (2S)-4-(4,4-difluoropiperidin-1-yl)-2-[[9H-fluoren-9-ylmethoxy(hydroxy)methyl]amino]-4-oxobutanoate
CID 154936349
(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-prop-2-enoxybutanoate
CID 7021499
1-O-(9H-fluoren-9-ylmethyl) 3-O-prop-2-enyl 2-amino-2-(iodomethyl)propanedioate
CID 175014630
[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclooctyl] formate
CID 135186585

Frequently Asked Questions

What is the IUPAC name of trans-prop-2-enyl (1R,2S)-1-[[9H-fluoren-9-ylmethoxy(hydroxy)methyl]amino]-2-hydroxycyclopentane-1-carboxylate?
The IUPAC name of trans-prop-2-enyl (1R,2S)-1-[[9H-fluoren-9-ylmethoxy(hydroxy)methyl]amino]-2-hydroxycyclopentane-1-carboxylate (CID 142154291) is trans-prop-2-enyl (1R,2S)-1-[[9H-fluoren-9-ylmethoxy(hydroxy)methyl]amino]-2-hydroxycyclopentane-1-carboxylate.
What is the SMILES notation for trans-prop-2-enyl (1R,2S)-1-[[9H-fluoren-9-ylmethoxy(hydroxy)methyl]amino]-2-hydroxycyclopentane-1-carboxylate?
The canonical SMILES for trans-prop-2-enyl (1R,2S)-1-[[9H-fluoren-9-ylmethoxy(hydroxy)methyl]amino]-2-hydroxycyclopentane-1-carboxylate is C=CCOC(=O)[C@@]1(NC(O)OCC2c3ccccc3-c3ccccc32)CCC[C@@H]1O.
What is the InChIKey of trans-prop-2-enyl (1R,2S)-1-[[9H-fluoren-9-ylmethoxy(hydroxy)methyl]amino]-2-hydroxycyclopentane-1-carboxylate?
The InChIKey is UCYAHTQMAVQOIB-FYFGAKMPSA-N. The full InChI is InChI=1S/C24H27NO5/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/h2-6,8-11,20-21,23,25-26,28H,1,7,12-15H2/t21-,23?,24+/m0/s1.
What are the key properties of trans-prop-2-enyl (1R,2S)-1-[[9H-fluoren-9-ylmethoxy(hydroxy)methyl]amino]-2-hydroxycyclopentane-1-carboxylate?
trans-prop-2-enyl (1R,2S)-1-[[9H-fluoren-9-ylmethoxy(hydroxy)methyl]amino]-2-hydroxycyclopentane-1-carboxylate has a molecular weight of 409.48 g/mol, XLogP of 2.69, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-prop-2-enyl (1R,2S)-1-[[9H-fluoren-9-ylmethoxy(hydroxy)methyl]amino]-2-hydroxycyclopentane-1-carboxylate is sourced from PubChem (CID 142154291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).