ethyl 4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanoate

C15H31N3O2 — CID 63165810

IUPACethyl 4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanoate
SMILESCCOC(=O)C(CCN1CCC(N(C)C)C1)NC(C)C
InChIInChI=1S/C15H31N3O2/c1-6-20-15(19)14(16-12(2)3)8-10-18-9-7-13(11-18)17(4)5/h12-14,16H,6-11H2,1-5H3
InChIKeyPZXBPZVCFMVRFR-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.94
Rot. Bonds8

About ethyl 4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanoate

ethyl 4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanoate (PubChem CID 63165810) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is ethyl 4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanoate
PubChem CID63165810
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Nameethyl 4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanoate
SMILESCCOC(=O)C(CCN1CCC(N(C)C)C1)NC(C)C
InChIInChI=1S/C15H31N3O2/c1-6-20-15(19)14(16-12(2)3)8-10-18-9-7-13(11-18)17(4)5/h12-14,16H,6-11H2,1-5H3
InChIKeyPZXBPZVCFMVRFR-UHFFFAOYSA-N
XLogP0.94
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate
CID 63165430
ethyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate
CID 63165603
ethyl 3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate
CID 63164459
ethyl 2-(propan-2-ylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate
CID 103501963
ethyl 3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)propanoate
CID 63211159
ethyl 4-(3-tert-butylpyrrolidin-1-yl)-2-(methylamino)butanoate
CID 113418606
methyl 4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butanoate
CID 63028267
ethyl 3-[cyclopropyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propanoate
CID 78977501
methyl 4-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butanoate
CID 102966487
methyl 2-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate
CID 63165298
ethyl 2-(ethylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanoate
CID 79163894
methyl 4-(azocan-1-yl)-2-(propan-2-ylamino)butanoate
CID 63027769

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanoate?
The IUPAC name of ethyl 4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanoate (CID 63165810) is ethyl 4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanoate.
What is the SMILES notation for ethyl 4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanoate?
The canonical SMILES for ethyl 4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanoate is CCOC(=O)C(CCN1CCC(N(C)C)C1)NC(C)C.
What is the InChIKey of ethyl 4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanoate?
The InChIKey is PZXBPZVCFMVRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-6-20-15(19)14(16-12(2)3)8-10-18-9-7-13(11-18)17(4)5/h12-14,16H,6-11H2,1-5H3.
What are the key properties of ethyl 4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanoate?
ethyl 4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanoate has a molecular weight of 285.43 g/mol, XLogP of 0.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanoate is sourced from PubChem (CID 63165810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).