methyl 2-cyclopropyl-2-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate

C16H31N3O2 — CID 79309047

IUPACmethyl 2-cyclopropyl-2-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate
SMILESCCNC(CN(C)CC1CCCN1C)(C(=O)OC)C1CC1
InChIInChI=1S/C16H31N3O2/c1-5-17-16(13-8-9-13,15(20)21-4)12-18(2)11-14-7-6-10-19(14)3/h13-14,17H,5-12H2,1-4H3
InChIKeyPDKMIGKOVZOBTA-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.94
Rot. Bonds8

About methyl 2-cyclopropyl-2-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate

methyl 2-cyclopropyl-2-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate (PubChem CID 79309047) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate
PubChem CID79309047
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Namemethyl 2-cyclopropyl-2-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate
SMILESCCNC(CN(C)CC1CCCN1C)(C(=O)OC)C1CC1
InChIInChI=1S/C16H31N3O2/c1-5-17-16(13-8-9-13,15(20)21-4)12-18(2)11-14-7-6-10-19(14)3/h13-14,17H,5-12H2,1-4H3
InChIKeyPDKMIGKOVZOBTA-UHFFFAOYSA-N
XLogP0.94
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-cyclopropyl-2-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate with MolForge

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Related Compounds

2-cyclopropyl-2-(methylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoic acid
CID 79314867
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoic acid
CID 79315014
methyl 2-cyclopropyl-3-(dimethylamino)-2-(ethylamino)propanoate
CID 63906010
methyl 2-(ethylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoate
CID 79309260
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol
CID 79317268
2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanehydrazide
CID 79631821
methyl 2-cyclopropyl-2-(methylamino)-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate
CID 63927659
3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(ethylamino)propanoic acid
CID 63916273
methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropanoate
CID 79620923
methyl 2-cyclopropyl-2-(ethylamino)-3-(N-methylanilino)propanoate
CID 63906606
methyl 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoate
CID 79313620
methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propanoate
CID 63905526

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate?
The IUPAC name of methyl 2-cyclopropyl-2-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate (CID 79309047) is methyl 2-cyclopropyl-2-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate.
What is the SMILES notation for methyl 2-cyclopropyl-2-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate?
The canonical SMILES for methyl 2-cyclopropyl-2-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate is CCNC(CN(C)CC1CCCN1C)(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate?
The InChIKey is PDKMIGKOVZOBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-5-17-16(13-8-9-13,15(20)21-4)12-18(2)11-14-7-6-10-19(14)3/h13-14,17H,5-12H2,1-4H3.
What are the key properties of methyl 2-cyclopropyl-2-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate?
methyl 2-cyclopropyl-2-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate has a molecular weight of 297.44 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 methyl 2-cyclopropyl-2-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate is sourced from PubChem (CID 79309047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).