Methyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate

Name: Methyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₂₉N₃O₂ — CID 63165821

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACmethyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate

SMILESCCN(CC)C1CCN(CC(C)(NC)C(=O)OC)C1

InChIInChI=1S/C14H29N3O2/c1-6-17(7-2)12-8-9-16(10-12)11-14(3,15-4)13(18)19-5/h12,15H,6-11H2,1-5H3

InChIKeyBHMQRPHUKZTFHM-UHFFFAOYSA-N

MW271.40 g/mol

LogP0.55

Rot. Bonds7

About Methyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate

Methyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate (PubChem CID 63165821) has the molecular formula C₁₄H₂₉N₃O₂ and a molecular weight of 271.40 g/mol. Its IUPAC name is methyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate.

Molecular Properties

Compound Name	Methyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate
PubChem CID	63165821
Molecular Formula	C₁₄H₂₉N₃O₂
Molecular Weight	271.40 g/mol
Exact Mass	271.23
IUPAC Name	methyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate
SMILES	CCN(CC)C1CCN(CC(C)(NC)C(=O)OC)C1
InChI	InChI=1S/C14H29N3O2/c1-6-17(7-2)12-8-9-16(10-12)11-14(3,15-4)13(18)19-5/h12,15H,6-11H2,1-5H3
InChIKey	BHMQRPHUKZTFHM-UHFFFAOYSA-N
XLogP	0.55
TPSA	44.81 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	271.40
LogP ≤ 5	0.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of Methyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate?

The IUPAC name of Methyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate (CID 63165821) is methyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate.

What is the SMILES notation for Methyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate?

The canonical SMILES for Methyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate is CCN(CC)C1CCN(CC(C)(NC)C(=O)OC)C1.

What is the InChIKey of Methyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate?

The InChIKey is BHMQRPHUKZTFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-6-17(7-2)12-8-9-16(10-12)11-14(3,15-4)13(18)19-5/h12,15H,6-11H2,1-5H3.

What are the key properties of Methyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate?

Methyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate has a molecular weight of 271.40 g/mol, XLogP of 0.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate is sourced from PubChem (CID 63165821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 63165821 — identifiers, structure, computed properties (public domain)

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