methyl 3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate

C13H27N3O2 — CID 63165430

IUPACmethyl 3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate
SMILESCOC(=O)C(CN1CCC(N(C)C)C1)NC(C)C
InChIInChI=1S/C13H27N3O2/c1-10(2)14-12(13(17)18-5)9-16-7-6-11(8-16)15(3)4/h10-12,14H,6-9H2,1-5H3
InChIKeyKWCRLFYMJCGDRR-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.16
Rot. Bonds6

About methyl 3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate

methyl 3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate (PubChem CID 63165430) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is methyl 3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate
PubChem CID63165430
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Namemethyl 3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate
SMILESCOC(=O)C(CN1CCC(N(C)C)C1)NC(C)C
InChIInChI=1S/C13H27N3O2/c1-10(2)14-12(13(17)18-5)9-16-7-6-11(8-16)15(3)4/h10-12,14H,6-9H2,1-5H3
InChIKeyKWCRLFYMJCGDRR-UHFFFAOYSA-N
XLogP0.16
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate 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 2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate
CID 55158561
methyl 2-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate
CID 63165298
ethyl 4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanoate
CID 63165810
ethyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate
CID 63165603
methyl 3-(4-tert-butylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate
CID 62091822
methyl 3-(4,4-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate
CID 62930775
2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid
CID 63165297
methyl 3-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropanoate
CID 115302351
(2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol
CID 103935148
ethyl 2-(propan-2-ylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate
CID 103501963
3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanenitrile
CID 63165419
methyl 4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butanoate
CID 63028267

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate?
The IUPAC name of methyl 3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate (CID 63165430) is methyl 3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate.
What is the SMILES notation for methyl 3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate?
The canonical SMILES for methyl 3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate is COC(=O)C(CN1CCC(N(C)C)C1)NC(C)C.
What is the InChIKey of methyl 3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate?
The InChIKey is KWCRLFYMJCGDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-10(2)14-12(13(17)18-5)9-16-7-6-11(8-16)15(3)4/h10-12,14H,6-9H2,1-5H3.
What are the key properties of methyl 3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate?
methyl 3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate has a molecular weight of 257.38 g/mol, XLogP of 0.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate is sourced from PubChem (CID 63165430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).