2-cyclopropyl-3-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)propanoic acid

C14H26N2O4 — CID 103538194

IUPAC2-cyclopropyl-3-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)propanoic acid
SMILESCCNC(CN1CC(OC)C(OC)C1)(C(=O)O)C1CC1
InChIInChI=1S/C14H26N2O4/c1-4-15-14(13(17)18,10-5-6-10)9-16-7-11(19-2)12(8-16)20-3/h10-12,15H,4-9H2,1-3H3,(H,17,18)
InChIKeyWVTXYFRFAPPCLS-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.17
Rot. Bonds8

About 2-cyclopropyl-3-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)propanoic acid

2-cyclopropyl-3-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)propanoic acid (PubChem CID 103538194) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-cyclopropyl-3-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)propanoic acid
PubChem CID103538194
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-cyclopropyl-3-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)propanoic acid
SMILESCCNC(CN1CC(OC)C(OC)C1)(C(=O)O)C1CC1
InChIInChI=1S/C14H26N2O4/c1-4-15-14(13(17)18,10-5-6-10)9-16-7-11(19-2)12(8-16)20-3/h10-12,15H,4-9H2,1-3H3,(H,17,18)
InChIKeyWVTXYFRFAPPCLS-UHFFFAOYSA-N
XLogP0.17
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Cyclopropyl-2-[(4-methoxypyrrolidine-2-carbonyl)amino]propanoic acid
CID 61214079
Methyl 2-cyclopropyl-2-(ethylamino)-3-pyrrolidin-1-ylpropanoate
CID 63905577
Methyl 2-cyclopropyl-2-(propan-2-ylamino)-3-pyrrolidin-1-ylpropanoate
CID 63905771
Ethyl 2-cyclopropyl-2-(propan-2-ylamino)-3-pyrrolidin-1-ylpropanoate
CID 63905776
2-Cyclopropyl-3-morpholin-4-yl-2-(propylamino)propanoic acid
CID 63905778
Methyl 2-cyclopropyl-2-(propylamino)-3-pyrrolidin-1-ylpropanoate
CID 63905971
Ethyl 2-cyclopropyl-2-(methylamino)-3-pyrrolidin-1-ylpropanoate
CID 63905973
Methyl 2-cyclopropyl-3-(2-methylpyrrolidin-1-yl)-2-(propylamino)propanoate
CID 63906106
2-Cyclopropyl-2-(ethylamino)-3-pyrrolidin-1-ylpropanoic acid
CID 63906175
Ethyl 2-cyclopropyl-2-(ethylamino)-3-pyrrolidin-1-ylpropanoate
CID 63906177
2-Cyclopropyl-2-(ethylamino)-3-(2-methylpyrrolidin-1-yl)propanoic acid
CID 63906521
2-Cyclopropyl-2-(ethylamino)-3-morpholin-4-ylpropanoic acid
CID 63906586

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-3-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)propanoic acid (CID 103538194) is 2-cyclopropyl-3-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-3-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-3-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)propanoic acid is CCNC(CN1CC(OC)C(OC)C1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)propanoic acid?
The InChIKey is WVTXYFRFAPPCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-4-15-14(13(17)18,10-5-6-10)9-16-7-11(19-2)12(8-16)20-3/h10-12,15H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 2-cyclopropyl-3-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)propanoic acid?
2-cyclopropyl-3-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)propanoic acid has a molecular weight of 286.37 g/mol, XLogP of 0.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)propanoic acid is sourced from PubChem (CID 103538194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).