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

C11H23N3O2 — CID 62545953

IUPACmethyl 2-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]propanoate
SMILESCOC(=O)C(N)CN(C)C1CCCN(C)C1
InChIInChI=1S/C11H23N3O2/c1-13-6-4-5-9(7-13)14(2)8-10(12)11(15)16-3/h9-10H,4-8,12H2,1-3H3
InChIKeyXHAFWLNKCNLMSJ-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.49
Rot. Bonds4

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

methyl 2-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]propanoate (PubChem CID 62545953) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is methyl 2-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]propanoate
PubChem CID62545953
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Namemethyl 2-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]propanoate
SMILESCOC(=O)C(N)CN(C)C1CCCN(C)C1
InChIInChI=1S/C11H23N3O2/c1-13-6-4-5-9(7-13)14(2)8-10(12)11(15)16-3/h9-10H,4-8,12H2,1-3H3
InChIKeyXHAFWLNKCNLMSJ-UHFFFAOYSA-N
XLogP-0.49
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-amino-3-[methyl-(1-methylpiperidin-3-yl)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

methyl 2-(methylamino)-4-[methyl-(1-methylpiperidin-3-yl)amino]butanoate
CID 63054552
2-methyl-3-[methyl-(1-methylpiperidin-3-yl)amino]propanehydrazide
CID 63572438
1-methoxy-3-[methyl-(1-methylpiperidin-3-yl)amino]propan-2-ol
CID 63930037
methyl 2-amino-4-(1-methylpiperidin-3-yl)butanoate
CID 116851548
methyl 4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butanoate
CID 63054708
4-amino-1-[methyl-(1-methylpiperidin-3-yl)amino]butan-2-ol
CID 117039168
2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]butanedioic acid
CID 115144584
N-(methoxymethyl)-N,1-dimethylpiperidin-3-amine
CID 115258466
1-(2-methoxyphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62545528
methyl 2-amino-3-[cyclopentylmethyl(methyl)amino]propanoate
CID 63632179
1-cyclopentyl-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 104745946
methyl 4-hydroxy-5-[methyl-(1-methylpyrrolidin-3-yl)amino]pentanoate
CID 115123565

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]propanoate?
The IUPAC name of methyl 2-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]propanoate (CID 62545953) is methyl 2-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]propanoate.
What is the SMILES notation for methyl 2-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]propanoate?
The canonical SMILES for methyl 2-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]propanoate is COC(=O)C(N)CN(C)C1CCCN(C)C1.
What is the InChIKey of methyl 2-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]propanoate?
The InChIKey is XHAFWLNKCNLMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-13-6-4-5-9(7-13)14(2)8-10(12)11(15)16-3/h9-10H,4-8,12H2,1-3H3.
What are the key properties of methyl 2-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]propanoate?
methyl 2-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]propanoate has a molecular weight of 229.32 g/mol, XLogP of -0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]propanoate is sourced from PubChem (CID 62545953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).