ethyl (E)-3-[(3R,4S)-3,4-dihydroxycyclopentyl]prop-2-enoate

C10H16O4 — CID 52916277

IUPACethyl (E)-3-[(3R,4S)-3,4-dihydroxycyclopentyl]prop-2-enoate
SMILESCCOC(=O)/C=C/C1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C10H16O4/c1-2-14-10(13)4-3-7-5-8(11)9(12)6-7/h3-4,7-9,11-12H,2,5-6H2,1H3/b4-3+/t7?,8-,9+
InChIKeyFXSSBUMAZONDGC-KWKLZRKESA-N
MW200.23 g/mol
LogP0.24
Rot. Bonds3

About ethyl (E)-3-[(3R,4S)-3,4-dihydroxycyclopentyl]prop-2-enoate

ethyl (E)-3-[(3R,4S)-3,4-dihydroxycyclopentyl]prop-2-enoate (PubChem CID 52916277) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is ethyl (E)-3-[(3R,4S)-3,4-dihydroxycyclopentyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[(3R,4S)-3,4-dihydroxycyclopentyl]prop-2-enoate
PubChem CID52916277
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Nameethyl (E)-3-[(3R,4S)-3,4-dihydroxycyclopentyl]prop-2-enoate
SMILESCCOC(=O)/C=C/C1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C10H16O4/c1-2-14-10(13)4-3-7-5-8(11)9(12)6-7/h3-4,7-9,11-12H,2,5-6H2,1H3/b4-3+/t7?,8-,9+
InChIKeyFXSSBUMAZONDGC-KWKLZRKESA-N
XLogP0.24
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-cyclobutylprop-2-enoate
CID 54090850
ethyl (E)-3-[(1S,2S)-2-methylcyclopropyl]prop-2-enoate
CID 101160794
ethyl (E)-3-[(2S)-2-hydroxycyclopentyl]prop-2-enoate
CID 132522889
ethyl (E)-3-(1-propan-2-ylpiperidin-4-yl)prop-2-enoate
CID 23062586
ethyl 3-pyrrolidin-3-ylprop-2-enoate
CID 54435450
diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
ethyl 2-(3-ethoxy-3-oxoprop-1-enyl)cyclopropane-1-carboxylate
CID 123260904
2-(3-ethoxy-3-oxoprop-1-enyl)cyclopropane-1-carboxylic acid
CID 70577811
4-(3-ethoxy-3-oxoprop-1-enyl)piperidine-1-carboxylic acid
CID 70246318
ethyl (E)-3-(1-tert-butylpiperidin-4-yl)prop-2-enoate
CID 141280258
ethyl 3-(2,2-difluorocyclopropyl)prop-2-enoate
CID 118364434
ethyl 3-(4-hydroxy-5-oxocyclohex-2-en-1-yl)prop-2-enoate
CID 57152833

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[(3R,4S)-3,4-dihydroxycyclopentyl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[(3R,4S)-3,4-dihydroxycyclopentyl]prop-2-enoate (CID 52916277) is ethyl (E)-3-[(3R,4S)-3,4-dihydroxycyclopentyl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[(3R,4S)-3,4-dihydroxycyclopentyl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[(3R,4S)-3,4-dihydroxycyclopentyl]prop-2-enoate is CCOC(=O)/C=C/C1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of ethyl (E)-3-[(3R,4S)-3,4-dihydroxycyclopentyl]prop-2-enoate?
The InChIKey is FXSSBUMAZONDGC-KWKLZRKESA-N. The full InChI is InChI=1S/C10H16O4/c1-2-14-10(13)4-3-7-5-8(11)9(12)6-7/h3-4,7-9,11-12H,2,5-6H2,1H3/b4-3+/t7?,8-,9+.
What are the key properties of ethyl (E)-3-[(3R,4S)-3,4-dihydroxycyclopentyl]prop-2-enoate?
ethyl (E)-3-[(3R,4S)-3,4-dihydroxycyclopentyl]prop-2-enoate has a molecular weight of 200.23 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[(3R,4S)-3,4-dihydroxycyclopentyl]prop-2-enoate is sourced from PubChem (CID 52916277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).