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

C13H25N3O2 — CID 55158561

IUPACmethyl 2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate
SMILESCOC(=O)C(CN1CCC(N(C)C)C1)NC1CC1
InChIInChI=1S/C13H25N3O2/c1-15(2)11-6-7-16(8-11)9-12(13(17)18-3)14-10-4-5-10/h10-12,14H,4-9H2,1-3H3
InChIKeyYZUVKFBIAGBNPR-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.08
Rot. Bonds6

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

methyl 2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate (PubChem CID 55158561) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate
PubChem CID55158561
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Namemethyl 2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate
SMILESCOC(=O)C(CN1CCC(N(C)C)C1)NC1CC1
InChIInChI=1S/C13H25N3O2/c1-15(2)11-6-7-16(8-11)9-12(13(17)18-3)14-10-4-5-10/h10-12,14H,4-9H2,1-3H3
InChIKeyYZUVKFBIAGBNPR-UHFFFAOYSA-N
XLogP-0.08
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid
CID 63165297
methyl 3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate
CID 63165430
methyl 2-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate
CID 63165298
methyl 2-(cyclopropylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate
CID 63170968
methyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)propanoate
CID 55155554
methyl 2-(cyclopropylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoate
CID 63635593
methyl 3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)propanoate
CID 63160319
methyl 2-(cyclopropylamino)-3-(1,1-dioxo-1,4-thiazepan-4-yl)propanoate
CID 114083688
ethyl 2-(cyclopropylamino)-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate
CID 102966348
methyl 4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butanoate
CID 63028267
methyl 2-(cyclopropylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate
CID 63971806
ethyl 2-(cyclopropylamino)-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propanoate
CID 81475150

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate (CID 55158561) is methyl 2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate is COC(=O)C(CN1CCC(N(C)C)C1)NC1CC1.
What is the InChIKey of methyl 2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate?
The InChIKey is YZUVKFBIAGBNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-15(2)11-6-7-16(8-11)9-12(13(17)18-3)14-10-4-5-10/h10-12,14H,4-9H2,1-3H3.
What are the key properties of methyl 2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate?
methyl 2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate has a molecular weight of 255.36 g/mol, XLogP of -0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate is sourced from PubChem (CID 55158561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).