methyl 2-(cyclopropylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate

C15H29N3O2 — CID 63274429

IUPACmethyl 2-(cyclopropylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate
SMILESCOC(=O)C(CCN(C)CC1CCN(C)C1)NC1CC1
InChIInChI=1S/C15H29N3O2/c1-17-8-6-12(10-17)11-18(2)9-7-14(15(19)20-3)16-13-4-5-13/h12-14,16H,4-11H2,1-3H3
InChIKeyBYCKFSGYPCRMGK-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.55
Rot. Bonds8

About methyl 2-(cyclopropylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate

methyl 2-(cyclopropylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate (PubChem CID 63274429) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate
PubChem CID63274429
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Namemethyl 2-(cyclopropylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate
SMILESCOC(=O)C(CCN(C)CC1CCN(C)C1)NC1CC1
InChIInChI=1S/C15H29N3O2/c1-17-8-6-12(10-17)11-18(2)9-7-14(15(19)20-3)16-13-4-5-13/h12-14,16H,4-11H2,1-3H3
InChIKeyBYCKFSGYPCRMGK-UHFFFAOYSA-N
XLogP0.55
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(cyclopropylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate with MolForge

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Related Compounds

ethyl 2-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate
CID 63274639
ethyl 2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate
CID 63274259
methyl 2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]butanoate
CID 63028809
2-amino-2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoic acid
CID 55171826
methyl 2-(cyclopropylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate
CID 63971806
methyl 2-amino-2-methyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate
CID 55171631
methyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)butanoate
CID 107401182
methyl 2-(cyclopropylamino)-4-[methyl-(4-methylcyclohexyl)amino]butanoate
CID 63055370
methyl 1-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclopropane-1-carboxylate
CID 115247638
methyl 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate
CID 63274774
methyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate
CID 115612489
methyl 2-methyl-3-(1-methylpyrrolidin-3-yl)propanoate
CID 83980575

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate (CID 63274429) is methyl 2-(cyclopropylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate is COC(=O)C(CCN(C)CC1CCN(C)C1)NC1CC1.
What is the InChIKey of methyl 2-(cyclopropylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate?
The InChIKey is BYCKFSGYPCRMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-17-8-6-12(10-17)11-18(2)9-7-14(15(19)20-3)16-13-4-5-13/h12-14,16H,4-11H2,1-3H3.
What are the key properties of methyl 2-(cyclopropylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate?
methyl 2-(cyclopropylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate has a molecular weight of 283.42 g/mol, XLogP of 0.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate is sourced from PubChem (CID 63274429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).