methyl 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(propylamino)butanoate

C15H31N3O2 — CID 63055230

IUPACmethyl 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(propylamino)butanoate
SMILESCCCNC(CCN1CCCC1CN(C)C)C(=O)OC
InChIInChI=1S/C15H31N3O2/c1-5-9-16-14(15(19)20-4)8-11-18-10-6-7-13(18)12-17(2)3/h13-14,16H,5-12H2,1-4H3
InChIKeyPDWNPPXXTWPDTP-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.94
Rot. Bonds9

About methyl 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(propylamino)butanoate

methyl 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(propylamino)butanoate (PubChem CID 63055230) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is methyl 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(propylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(propylamino)butanoate
PubChem CID63055230
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Namemethyl 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(propylamino)butanoate
SMILESCCCNC(CCN1CCCC1CN(C)C)C(=O)OC
InChIInChI=1S/C15H31N3O2/c1-5-9-16-14(15(19)20-4)8-11-18-10-6-7-13(18)12-17(2)3/h13-14,16H,5-12H2,1-4H3
InChIKeyPDWNPPXXTWPDTP-UHFFFAOYSA-N
XLogP0.94
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
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 methyl 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(propylamino)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 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(propylamino)butanoate
CID 65324539
methyl 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(propylamino)butanoate
CID 63054403
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(ethylamino)butanamide
CID 63055063
methyl 4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butanoate
CID 63054708
ethyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propylamino)propanoate
CID 79309297
4-(2,3-dimethylpiperidin-1-yl)-2-(propylamino)butanamide
CID 63053485
ethyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylpropanoate
CID 62888613
methyl 4-(4-methoxypiperidin-1-yl)-2-(propylamino)butanoate
CID 63029608
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylbutan-2-amine
CID 62886637
methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(propylamino)butanoate
CID 55145293
methyl 4-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanoate
CID 55145067
methyl 4-(3-methoxypyrrolidin-1-yl)-2-(propylamino)butanoate
CID 103537953

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(propylamino)butanoate?
The IUPAC name of methyl 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(propylamino)butanoate (CID 63055230) is methyl 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(propylamino)butanoate.
What is the SMILES notation for methyl 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(propylamino)butanoate?
The canonical SMILES for methyl 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(propylamino)butanoate is CCCNC(CCN1CCCC1CN(C)C)C(=O)OC.
What is the InChIKey of methyl 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(propylamino)butanoate?
The InChIKey is PDWNPPXXTWPDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-5-9-16-14(15(19)20-4)8-11-18-10-6-7-13(18)12-17(2)3/h13-14,16H,5-12H2,1-4H3.
What are the key properties of methyl 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(propylamino)butanoate?
methyl 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(propylamino)butanoate has a molecular weight of 285.43 g/mol, XLogP of 0.94, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(propylamino)butanoate is sourced from PubChem (CID 63055230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).