ethyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate

C16H33N3O2 — CID 63165603

IUPACethyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate
SMILESCCOC(=O)C(CN1CCC(N(CC)CC)C1)NC(C)C
InChIInChI=1S/C16H33N3O2/c1-6-19(7-2)14-9-10-18(11-14)12-15(17-13(4)5)16(20)21-8-3/h13-15,17H,6-12H2,1-5H3
InChIKeyWTVPRABBBKRKHW-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.33
Rot. Bonds9

About ethyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate

ethyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate (PubChem CID 63165603) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is ethyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate
PubChem CID63165603
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Nameethyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate
SMILESCCOC(=O)C(CN1CCC(N(CC)CC)C1)NC(C)C
InChIInChI=1S/C16H33N3O2/c1-6-19(7-2)14-9-10-18(11-14)12-15(17-13(4)5)16(20)21-8-3/h13-15,17H,6-12H2,1-5H3
InChIKeyWTVPRABBBKRKHW-UHFFFAOYSA-N
XLogP1.33
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(propan-2-ylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate
CID 103501963
methyl 3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate
CID 63165430
ethyl 4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanoate
CID 63165810
ethyl 3-[cyclopropyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propanoate
CID 78977501
1-[2-cyclopentyl-2-(propylamino)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 104746159
ethyl 2-(propan-2-ylamino)-3-(2-propylpiperidin-1-yl)propanoate
CID 83061902
ethyl 3-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylpropanoate
CID 62063969
ethyl 2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate
CID 103502066
ethyl 2-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate
CID 63165522
4-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanenitrile
CID 63165673
1-(2,2-dimethoxyethyl)-N,N-diethylpyrrolidin-3-amine
CID 66223207
N,N-diethyl-1-[2-methyl-3-(methylamino)propyl]pyrrolidin-3-amine
CID 63166631

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate?
The IUPAC name of ethyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate (CID 63165603) is ethyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate.
What is the SMILES notation for ethyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate?
The canonical SMILES for ethyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate is CCOC(=O)C(CN1CCC(N(CC)CC)C1)NC(C)C.
What is the InChIKey of ethyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate?
The InChIKey is WTVPRABBBKRKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-6-19(7-2)14-9-10-18(11-14)12-15(17-13(4)5)16(20)21-8-3/h13-15,17H,6-12H2,1-5H3.
What are the key properties of ethyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate?
ethyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate has a molecular weight of 299.46 g/mol, XLogP of 1.33, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate is sourced from PubChem (CID 63165603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).