methyl 2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate

C14H24N4O2 — CID 63025456

IUPACmethyl 2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
SMILESCOC(=O)C(C)(CN(C)Cc1nccn1C)NC1CC1
InChIInChI=1S/C14H24N4O2/c1-14(13(19)20-4,16-11-5-6-11)10-17(2)9-12-15-7-8-18(12)3/h7-8,11,16H,5-6,9-10H2,1-4H3
InChIKeyPMMSNGPOMXEQNO-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.54
Rot. Bonds7

About methyl 2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate

methyl 2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate (PubChem CID 63025456) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
PubChem CID63025456
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Namemethyl 2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
SMILESCOC(=O)C(C)(CN(C)Cc1nccn1C)NC1CC1
InChIInChI=1S/C14H24N4O2/c1-14(13(19)20-4,16-11-5-6-11)10-17(2)9-12-15-7-8-18(12)3/h7-8,11,16H,5-6,9-10H2,1-4H3
InChIKeyPMMSNGPOMXEQNO-UHFFFAOYSA-N
XLogP0.54
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]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

ethyl 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
CID 63024944
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoic acid
CID 63026829
methyl 2-amino-2-methyl-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]hexanoate
CID 63026662
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanamide
CID 63024945
methyl 2-(cyclopropylamino)-2-methyl-4-(1-methylimidazol-2-yl)sulfanylpentanoate
CID 64710648
methyl 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
CID 62011854
methyl 2-(ethylamino)-2-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pentanoate
CID 64704572
methyl 2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanoate
CID 55226592
N-cyclopropyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 63025346
2-cyclopropyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoic acid
CID 114990475
2-cyclopropyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-(propylamino)propan-1-ol
CID 64789493
N-tert-butyl-N',2,2-trimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63024792

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate (CID 63025456) is methyl 2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate is COC(=O)C(C)(CN(C)Cc1nccn1C)NC1CC1.
What is the InChIKey of methyl 2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate?
The InChIKey is PMMSNGPOMXEQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-14(13(19)20-4,16-11-5-6-11)10-17(2)9-12-15-7-8-18(12)3/h7-8,11,16H,5-6,9-10H2,1-4H3.
What are the key properties of methyl 2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate?
methyl 2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate has a molecular weight of 280.37 g/mol, XLogP of 0.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate is sourced from PubChem (CID 63025456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).