ethyl 2-[(2R,4S)-4-methoxypyrrolidin-2-yl]acetate

C9H17NO3 — CID 97300329

IUPACethyl 2-[(2R,4S)-4-methoxypyrrolidin-2-yl]acetate
SMILESCCOC(=O)C[C@H]1C[C@H](OC)CN1
InChIInChI=1S/C9H17NO3/c1-3-13-9(11)5-7-4-8(12-2)6-10-7/h7-8,10H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyOCCJYSLSIHAZFC-SFYZADRCSA-N
MW187.24 g/mol
LogP0.32
Rot. Bonds4

About ethyl 2-[(2R,4S)-4-methoxypyrrolidin-2-yl]acetate

ethyl 2-[(2R,4S)-4-methoxypyrrolidin-2-yl]acetate (PubChem CID 97300329) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is ethyl 2-[(2R,4S)-4-methoxypyrrolidin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2R,4S)-4-methoxypyrrolidin-2-yl]acetate
PubChem CID97300329
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nameethyl 2-[(2R,4S)-4-methoxypyrrolidin-2-yl]acetate
SMILESCCOC(=O)C[C@H]1C[C@H](OC)CN1
InChIInChI=1S/C9H17NO3/c1-3-13-9(11)5-7-4-8(12-2)6-10-7/h7-8,10H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyOCCJYSLSIHAZFC-SFYZADRCSA-N
XLogP0.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2S,4S)-4-methoxypyrrolidin-2-yl]acetate
CID 97300328
ethyl 4-methoxypyrrolidine-2-carboxylate
CID 43119085
ethyl 2-[(2S,5S)-5-methylpiperidin-2-yl]acetate
CID 129410961
(4-methoxypyrrolidin-2-yl)methanamine
CID 61214968
[(2S)-4-methoxypyrrolidin-2-yl]methanol
CID 159031091
ethyl 4-[[(2S,4S)-4-methoxypyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate;molecular fluorine
CID 157424412
ethyl 2-[(1R,3R)-3-methoxycyclohexyl]acetate
CID 98041349
2-[(2R,4S)-4-methoxypyrrolidin-2-yl]ethanol
CID 155821329
2-ethoxyethyl 4-methoxypyrrolidine-2-carboxylate
CID 61278622
ethyl 2-[(2R,3S,4R,5R)-3,4,5-trihydroxypiperidin-2-yl]acetate
CID 10900110
(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride
CID 119057051
4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride
CID 122236424

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R,4S)-4-methoxypyrrolidin-2-yl]acetate?
The IUPAC name of ethyl 2-[(2R,4S)-4-methoxypyrrolidin-2-yl]acetate (CID 97300329) is ethyl 2-[(2R,4S)-4-methoxypyrrolidin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(2R,4S)-4-methoxypyrrolidin-2-yl]acetate?
The canonical SMILES for ethyl 2-[(2R,4S)-4-methoxypyrrolidin-2-yl]acetate is CCOC(=O)C[C@H]1C[C@H](OC)CN1.
What is the InChIKey of ethyl 2-[(2R,4S)-4-methoxypyrrolidin-2-yl]acetate?
The InChIKey is OCCJYSLSIHAZFC-SFYZADRCSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-13-9(11)5-7-4-8(12-2)6-10-7/h7-8,10H,3-6H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of ethyl 2-[(2R,4S)-4-methoxypyrrolidin-2-yl]acetate?
ethyl 2-[(2R,4S)-4-methoxypyrrolidin-2-yl]acetate has a molecular weight of 187.24 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R,4S)-4-methoxypyrrolidin-2-yl]acetate is sourced from PubChem (CID 97300329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).