methyl 4-(3,4-dimethoxypyrrolidin-1-yl)-2-(methylamino)butanoate

C12H24N2O4 — CID 103538249

IUPACmethyl 4-(3,4-dimethoxypyrrolidin-1-yl)-2-(methylamino)butanoate
SMILESCNC(CCN1CC(OC)C(OC)C1)C(=O)OC
InChIInChI=1S/C12H24N2O4/c1-13-9(12(15)18-4)5-6-14-7-10(16-2)11(8-14)17-3/h9-11,13H,5-8H2,1-4H3
InChIKeyGQPOPKMCRXXLJQ-UHFFFAOYSA-N
MW260.33 g/mol
LogP-0.52
Rot. Bonds7

About methyl 4-(3,4-dimethoxypyrrolidin-1-yl)-2-(methylamino)butanoate

methyl 4-(3,4-dimethoxypyrrolidin-1-yl)-2-(methylamino)butanoate (PubChem CID 103538249) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is methyl 4-(3,4-dimethoxypyrrolidin-1-yl)-2-(methylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(3,4-dimethoxypyrrolidin-1-yl)-2-(methylamino)butanoate
PubChem CID103538249
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Namemethyl 4-(3,4-dimethoxypyrrolidin-1-yl)-2-(methylamino)butanoate
SMILESCNC(CCN1CC(OC)C(OC)C1)C(=O)OC
InChIInChI=1S/C12H24N2O4/c1-13-9(12(15)18-4)5-6-14-7-10(16-2)11(8-14)17-3/h9-11,13H,5-8H2,1-4H3
InChIKeyGQPOPKMCRXXLJQ-UHFFFAOYSA-N
XLogP-0.52
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-amino-4-(3,4-dimethoxypyrrolidin-1-yl)butanoate
CID 103538234
3-(3,4-dimethoxypyrrolidin-1-yl)-2-(methylamino)propanoic acid
CID 103538160
methyl 4-(4-tert-butylpiperidin-1-yl)-2-(methylamino)butanoate
CID 63054691
methyl 2-acetamido-3-(3,4-dimethoxypyrrolidin-1-yl)propanoate
CID 103535255
methyl 2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoate
CID 63054192
methyl 2-(ethylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)butanoate
CID 102966363
methyl 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(propan-2-ylamino)butanoate
CID 115561460
methyl 4-(2-cyclopentylpyrrolidin-1-yl)-2-(methylamino)butanoate
CID 63055166
methyl 4-(2,6-dimethylmorpholin-4-yl)-2-(propan-2-ylamino)butanoate
CID 63029150
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(methylamino)butanamide
CID 115561507
ethyl 4-(4,4-diethylpiperidin-1-yl)-2-(methylamino)butanoate
CID 63159042
4-(3,4-dimethoxypyrrolidin-1-yl)-2-methoxybutan-1-amine
CID 103534891

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3,4-dimethoxypyrrolidin-1-yl)-2-(methylamino)butanoate?
The IUPAC name of methyl 4-(3,4-dimethoxypyrrolidin-1-yl)-2-(methylamino)butanoate (CID 103538249) is methyl 4-(3,4-dimethoxypyrrolidin-1-yl)-2-(methylamino)butanoate.
What is the SMILES notation for methyl 4-(3,4-dimethoxypyrrolidin-1-yl)-2-(methylamino)butanoate?
The canonical SMILES for methyl 4-(3,4-dimethoxypyrrolidin-1-yl)-2-(methylamino)butanoate is CNC(CCN1CC(OC)C(OC)C1)C(=O)OC.
What is the InChIKey of methyl 4-(3,4-dimethoxypyrrolidin-1-yl)-2-(methylamino)butanoate?
The InChIKey is GQPOPKMCRXXLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-13-9(12(15)18-4)5-6-14-7-10(16-2)11(8-14)17-3/h9-11,13H,5-8H2,1-4H3.
What are the key properties of methyl 4-(3,4-dimethoxypyrrolidin-1-yl)-2-(methylamino)butanoate?
methyl 4-(3,4-dimethoxypyrrolidin-1-yl)-2-(methylamino)butanoate has a molecular weight of 260.33 g/mol, XLogP of -0.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3,4-dimethoxypyrrolidin-1-yl)-2-(methylamino)butanoate is sourced from PubChem (CID 103538249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).