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'}

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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).