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

C14H29N3O2 — CID 63165821

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 Namemethyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate
PubChem CID63165821
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Namemethyl 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
XLogP0.55
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanamide
CID 55158563
3-[3-(diethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpropanoic acid
CID 63165732
ethyl 3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(methylamino)propanoate
CID 113418587
ethyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate
CID 64582135
methyl 3-(3-ethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)propanoate
CID 113418645
ethyl 2-methyl-2-(methylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate
CID 63165779
ethyl 3-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(methylamino)propanoate
CID 63971227
methyl 2-(ethylamino)-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoate
CID 79174254
methyl 2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate
CID 103537978
2-[3-(diethylamino)pyrrolidin-1-yl]acetic acid;hydrochloride
CID 67009777
2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-2-ethylbutanal
CID 63165409
methyl 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 62089716

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).