ethane;ethyl 3-hydroxypyrrolidine-1-carboxylate

C9H19NO3 — CID 162757554

IUPACethane;ethyl 3-hydroxypyrrolidine-1-carboxylate
SMILESCC.CCOC(=O)N1CCC(O)C1
InChIInChI=1S/C7H13NO3.C2H6/c1-2-11-7(10)8-4-3-6(9)5-8;1-2/h6,9H,2-5H2,1H3;1-2H3
InChIKeySWZHCRXKBQKYLQ-UHFFFAOYSA-N
MW189.25 g/mol
LogP1.24
Rot. Bonds1

About ethane;ethyl 3-hydroxypyrrolidine-1-carboxylate

ethane;ethyl 3-hydroxypyrrolidine-1-carboxylate (PubChem CID 162757554) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is ethane;ethyl 3-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 3-hydroxypyrrolidine-1-carboxylate
PubChem CID162757554
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Nameethane;ethyl 3-hydroxypyrrolidine-1-carboxylate
SMILESCC.CCOC(=O)N1CCC(O)C1
InChIInChI=1S/C7H13NO3.C2H6/c1-2-11-7(10)8-4-3-6(9)5-8;1-2/h6,9H,2-5H2,1H3;1-2H3
InChIKeySWZHCRXKBQKYLQ-UHFFFAOYSA-N
XLogP1.24
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;ethyl 3-(dimethylamino)pyrrolidine-1-carboxylate
CID 162757671
ethyl 2-amino-3-[(3R)-3-hydroxypyrrolidin-1-yl]-3-oxopropanoate
CID 107217271
ethyl (3S,4R)-3-(aminomethyl)-4-hydroxypiperidine-1-carboxylate
CID 59145083
prop-2-ynyl (3S)-3-hydroxypyrrolidine-1-carboxylate
CID 130626651
tert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methanol
CID 145288050
ethyl 2-(3-hydroxypyrrolidine-1-carbonyl)-3,3-dimethylbutanoate
CID 116538028
5,5-dimethylhexyl (3R)-3-hydroxypyrrolidine-1-carboxylate
CID 69001504
tert-butyl 3-hydroxypyrrolidine-1-carboxylate;ethane;methanol;tungsten;hydrate
CID 170975790
ethyl 3-[(3R)-3-hydroxypyrrolidin-1-yl]-3-oxopropanimidate
CID 139641019
ethyl 3-aminopiperidine-1-carboxylate
CID 10103615
ethane;ethenamine;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 157028597
tert-butyl 3-hydroxypyrrolidine-1-carboxylate;cyclopentanol
CID 157216636

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 3-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of ethane;ethyl 3-hydroxypyrrolidine-1-carboxylate (CID 162757554) is ethane;ethyl 3-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for ethane;ethyl 3-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for ethane;ethyl 3-hydroxypyrrolidine-1-carboxylate is CC.CCOC(=O)N1CCC(O)C1.
What is the InChIKey of ethane;ethyl 3-hydroxypyrrolidine-1-carboxylate?
The InChIKey is SWZHCRXKBQKYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3.C2H6/c1-2-11-7(10)8-4-3-6(9)5-8;1-2/h6,9H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;ethyl 3-hydroxypyrrolidine-1-carboxylate?
ethane;ethyl 3-hydroxypyrrolidine-1-carboxylate has a molecular weight of 189.25 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 3-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 162757554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).