ethyl 4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutanoate

C10H17NO5 — CID 106668262

IUPACethyl 4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N1CC(O)C(O)C1
InChIInChI=1S/C10H17NO5/c1-2-16-10(15)4-3-9(14)11-5-7(12)8(13)6-11/h7-8,12-13H,2-6H2,1H3
InChIKeyMUIXTSJECMNSHI-UHFFFAOYSA-N
MW231.25 g/mol
LogP-1.11
Rot. Bonds4

About ethyl 4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutanoate

ethyl 4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutanoate (PubChem CID 106668262) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is ethyl 4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutanoate
PubChem CID106668262
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Nameethyl 4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N1CC(O)C(O)C1
InChIInChI=1S/C10H17NO5/c1-2-16-10(15)4-3-9(14)11-5-7(12)8(13)6-11/h7-8,12-13H,2-6H2,1H3
InChIKeyMUIXTSJECMNSHI-UHFFFAOYSA-N
XLogP-1.11
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-ethoxy-4-oxobutanoyl)azetidin-3-yl]acetic acid
CID 64605378
ethyl 4-[(3S)-3-hydroxypiperidin-1-yl]-4-oxobutanoate
CID 107214957
ethyl 4-oxo-4-[4-(4-oxopentanoyl)piperazin-1-yl]butanoate
CID 108570118
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]hexan-1-one
CID 79410087
1-(3,4-dihydroxypyrrolidin-1-yl)-3-methoxypropan-1-one
CID 106671129
ethyl 4-(4-ethoxypiperidin-1-yl)-4-oxobutanoate
CID 61150674
ethyl 4-oxo-4-(3-quinolin-2-yloxyazetidin-1-yl)butanoate
CID 122250271
1-(3,4-dihydroxypyrrolidin-1-yl)octan-1-one
CID 86230613
1-(4-ethoxy-4-oxobutanoyl)piperidine-3-carboxylic acid
CID 43355863
ethyl 4-[3-(hydroxymethyl)piperidin-1-yl]-4-oxobutanoate
CID 43422393
ethyl 4-oxo-4-[(3R)-3-phenylpyrrolidin-1-yl]butanoate
CID 51895095
ethyl 4-(3-fluorosulfonylpyrrolidin-1-yl)-4-oxobutanoate
CID 165476773

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutanoate?
The IUPAC name of ethyl 4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutanoate (CID 106668262) is ethyl 4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutanoate.
What is the SMILES notation for ethyl 4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutanoate?
The canonical SMILES for ethyl 4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutanoate is CCOC(=O)CCC(=O)N1CC(O)C(O)C1.
What is the InChIKey of ethyl 4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutanoate?
The InChIKey is MUIXTSJECMNSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-2-16-10(15)4-3-9(14)11-5-7(12)8(13)6-11/h7-8,12-13H,2-6H2,1H3.
What are the key properties of ethyl 4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutanoate?
ethyl 4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutanoate has a molecular weight of 231.25 g/mol, XLogP of -1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutanoate is sourced from PubChem (CID 106668262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).