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

C15H29N3O2 — CID 63927659

IUPACmethyl 2-cyclopropyl-2-(methylamino)-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate
SMILESCNC(CN(C)CC1CCN(C)C1)(C(=O)OC)C1CC1
InChIInChI=1S/C15H29N3O2/c1-16-15(13-5-6-13,14(19)20-4)11-18(3)10-12-7-8-17(2)9-12/h12-13,16H,5-11H2,1-4H3
InChIKeyJKEZNQNUVSBEJY-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.41
Rot. Bonds7

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

methyl 2-cyclopropyl-2-(methylamino)-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate (PubChem CID 63927659) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-(methylamino)-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-(methylamino)-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate
PubChem CID63927659
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Namemethyl 2-cyclopropyl-2-(methylamino)-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate
SMILESCNC(CN(C)CC1CCN(C)C1)(C(=O)OC)C1CC1
InChIInChI=1S/C15H29N3O2/c1-16-15(13-5-6-13,14(19)20-4)11-18(3)10-12-7-8-17(2)9-12/h12-13,16H,5-11H2,1-4H3
InChIKeyJKEZNQNUVSBEJY-UHFFFAOYSA-N
XLogP0.41
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

methyl 2-amino-2-methyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate
CID 55171631
methyl 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate
CID 63274774
2-amino-2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanamide
CID 63927660
2-cyclopropyl-3-[cyclopropylmethyl(methyl)amino]-2-(methylamino)propanoic acid
CID 63910926
methyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(methylamino)propanoate
CID 81061750
methyl 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pentanoate
CID 64705195
2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanehydrazide
CID 79626351
2-cyclopropyl-2-(methylamino)-3-[methyl-(1-methylpiperidin-4-yl)amino]propanoic acid
CID 63907041
methyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate
CID 115612489
methyl 2-cyclopropyl-2-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate
CID 79309047
methyl 1-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclopropane-1-carboxylate
CID 115247638
1-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-2-one
CID 63273547

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-(methylamino)-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate?
The IUPAC name of methyl 2-cyclopropyl-2-(methylamino)-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate (CID 63927659) is methyl 2-cyclopropyl-2-(methylamino)-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate.
What is the SMILES notation for methyl 2-cyclopropyl-2-(methylamino)-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate?
The canonical SMILES for methyl 2-cyclopropyl-2-(methylamino)-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate is CNC(CN(C)CC1CCN(C)C1)(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-(methylamino)-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate?
The InChIKey is JKEZNQNUVSBEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-16-15(13-5-6-13,14(19)20-4)11-18(3)10-12-7-8-17(2)9-12/h12-13,16H,5-11H2,1-4H3.
What are the key properties of methyl 2-cyclopropyl-2-(methylamino)-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate?
methyl 2-cyclopropyl-2-(methylamino)-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate has a molecular weight of 283.42 g/mol, XLogP of 0.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-(methylamino)-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate is sourced from PubChem (CID 63927659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).