dimethyl 2-pyrrolidin-1-ylbutanedioate

C10H17NO4 — CID 4892838

IUPACdimethyl 2-pyrrolidin-1-ylbutanedioate
SMILESCOC(=O)CC(C(=O)OC)N1CCCC1
InChIInChI=1S/C10H17NO4/c1-14-9(12)7-8(10(13)15-2)11-5-3-4-6-11/h8H,3-7H2,1-2H3
InChIKeyRJQDWVPQOJAKCQ-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.19
Rot. Bonds4

About dimethyl 2-pyrrolidin-1-ylbutanedioate

dimethyl 2-pyrrolidin-1-ylbutanedioate (PubChem CID 4892838) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is dimethyl 2-pyrrolidin-1-ylbutanedioate.

Molecular Properties

Compound Namedimethyl 2-pyrrolidin-1-ylbutanedioate
PubChem CID4892838
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Namedimethyl 2-pyrrolidin-1-ylbutanedioate
SMILESCOC(=O)CC(C(=O)OC)N1CCCC1
InChIInChI=1S/C10H17NO4/c1-14-9(12)7-8(10(13)15-2)11-5-3-4-6-11/h8H,3-7H2,1-2H3
InChIKeyRJQDWVPQOJAKCQ-UHFFFAOYSA-N
XLogP0.19
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 2-(4-methylpiperidin-1-yl)butanedioate
CID 18801785
methyl (2R)-3-amino-2-piperidin-1-ylpropanoate
CID 86664944
diethyl (2S)-2-pyrrolidin-1-ylbutanedioate
CID 7060753
methyl (3R)-3-pyrrolidin-1-ylbutanoate
CID 93106309
methyl 4-hydroxy-2-piperidin-1-ylbutanoate
CID 105453618
methyl (3S)-3-piperidin-1-ylbutanoate
CID 93106362
methyl 3-piperidin-1-ylpentanoate
CID 14178339
1-O-tert-butyl 4-O-ethyl (2S)-2-pyrrolidin-1-ylbutanedioate
CID 70429777
methyl 2,2-dipyrrolidin-1-ylacetate
CID 132553611
dimethyl (2S)-2-[4-[(2S)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]piperazin-1-yl]butanedioate
CID 23245054
methyl 3-phenyl-2-pyrrolidin-1-ylpropanoate
CID 20833938
dimethyl 2-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]butanedioate
CID 71196259

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-pyrrolidin-1-ylbutanedioate?
The IUPAC name of dimethyl 2-pyrrolidin-1-ylbutanedioate (CID 4892838) is dimethyl 2-pyrrolidin-1-ylbutanedioate.
What is the SMILES notation for dimethyl 2-pyrrolidin-1-ylbutanedioate?
The canonical SMILES for dimethyl 2-pyrrolidin-1-ylbutanedioate is COC(=O)CC(C(=O)OC)N1CCCC1.
What is the InChIKey of dimethyl 2-pyrrolidin-1-ylbutanedioate?
The InChIKey is RJQDWVPQOJAKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-14-9(12)7-8(10(13)15-2)11-5-3-4-6-11/h8H,3-7H2,1-2H3.
What are the key properties of dimethyl 2-pyrrolidin-1-ylbutanedioate?
dimethyl 2-pyrrolidin-1-ylbutanedioate has a molecular weight of 215.25 g/mol, XLogP of 0.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-pyrrolidin-1-ylbutanedioate is sourced from PubChem (CID 4892838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).