ethyl N-[(1S,4R)-4-hydroxycyclopent-2-en-1-yl]-N-(3-hydroxypropyl)carbamate

C11H19NO4 — CID 11253192

IUPACethyl N-[(1S,4R)-4-hydroxycyclopent-2-en-1-yl]-N-(3-hydroxypropyl)carbamate
SMILESCCOC(=O)N(CCCO)[C@@H]1C=C[C@H](O)C1
InChIInChI=1S/C11H19NO4/c1-2-16-11(15)12(6-3-7-13)9-4-5-10(14)8-9/h4-5,9-10,13-14H,2-3,6-8H2,1H3/t9-,10+/m1/s1
InChIKeySYSSUJXFYAQHCY-ZJUUUORDSA-N
MW229.28 g/mol
LogP0.52
Rot. Bonds5

About ethyl N-[(1S,4R)-4-hydroxycyclopent-2-en-1-yl]-N-(3-hydroxypropyl)carbamate

ethyl N-[(1S,4R)-4-hydroxycyclopent-2-en-1-yl]-N-(3-hydroxypropyl)carbamate (PubChem CID 11253192) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is ethyl N-[(1S,4R)-4-hydroxycyclopent-2-en-1-yl]-N-(3-hydroxypropyl)carbamate.

Molecular Properties

Compound Nameethyl N-[(1S,4R)-4-hydroxycyclopent-2-en-1-yl]-N-(3-hydroxypropyl)carbamate
PubChem CID11253192
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nameethyl N-[(1S,4R)-4-hydroxycyclopent-2-en-1-yl]-N-(3-hydroxypropyl)carbamate
SMILESCCOC(=O)N(CCCO)[C@@H]1C=C[C@H](O)C1
InChIInChI=1S/C11H19NO4/c1-2-16-11(15)12(6-3-7-13)9-4-5-10(14)8-9/h4-5,9-10,13-14H,2-3,6-8H2,1H3/t9-,10+/m1/s1
InChIKeySYSSUJXFYAQHCY-ZJUUUORDSA-N
XLogP0.52
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(1R,4R)-4-hydroxycyclopent-2-en-1-yl]-N-prop-2-enylcarbamate
CID 10977532
tert-butyl (2S)-2-[(E)-3-hydroxyprop-1-enyl]pyrrolidine-1-carboxylate
CID 11075145
(1r-cis)-Bis(1,1-dimethylethyl)-4-hydroxy-2-cyclopentenylimidodicarbonate
CID 11277964
tert-butyl N-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-N-prop-2-enylcarbamate
CID 11096697
Tert-butyl 2-(3-hydroxyprop-1-en-1-yl)pyrrolidine-1-carboxylate
CID 14660987
tert-butyl N-(4-hydroxycyclopent-2-en-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 22268914
tert-butyl[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]carbamic acid
CID 45091918
tert-butyl-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]carbamic acid
CID 45091928
(R)-2-(2-hydroxyethyl)-2,5-dihydropyrrole-1-carboxylic acid tert-butyl ester
CID 58640170
2-(3-Hydroxy-propenyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
CID 67413887
Tert-butyl 2-(2-hydroxyethyl)-2,5-dihydropyrrole-1-carboxylate
CID 68888448
Tert-butyl 4-(hydroxymethyl)-2-methyl-2,5-dihydropyrrole-1-carboxylate
CID 70973845

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(1S,4R)-4-hydroxycyclopent-2-en-1-yl]-N-(3-hydroxypropyl)carbamate?
The IUPAC name of ethyl N-[(1S,4R)-4-hydroxycyclopent-2-en-1-yl]-N-(3-hydroxypropyl)carbamate (CID 11253192) is ethyl N-[(1S,4R)-4-hydroxycyclopent-2-en-1-yl]-N-(3-hydroxypropyl)carbamate.
What is the SMILES notation for ethyl N-[(1S,4R)-4-hydroxycyclopent-2-en-1-yl]-N-(3-hydroxypropyl)carbamate?
The canonical SMILES for ethyl N-[(1S,4R)-4-hydroxycyclopent-2-en-1-yl]-N-(3-hydroxypropyl)carbamate is CCOC(=O)N(CCCO)[C@@H]1C=C[C@H](O)C1.
What is the InChIKey of ethyl N-[(1S,4R)-4-hydroxycyclopent-2-en-1-yl]-N-(3-hydroxypropyl)carbamate?
The InChIKey is SYSSUJXFYAQHCY-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H19NO4/c1-2-16-11(15)12(6-3-7-13)9-4-5-10(14)8-9/h4-5,9-10,13-14H,2-3,6-8H2,1H3/t9-,10+/m1/s1.
What are the key properties of ethyl N-[(1S,4R)-4-hydroxycyclopent-2-en-1-yl]-N-(3-hydroxypropyl)carbamate?
ethyl N-[(1S,4R)-4-hydroxycyclopent-2-en-1-yl]-N-(3-hydroxypropyl)carbamate has a molecular weight of 229.28 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(1S,4R)-4-hydroxycyclopent-2-en-1-yl]-N-(3-hydroxypropyl)carbamate is sourced from PubChem (CID 11253192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).