3-amino-2-(3-methoxy-4-methylpiperidin-1-yl)propanoic acid

C10H20N2O3 — CID 102964894

IUPAC3-amino-2-(3-methoxy-4-methylpiperidin-1-yl)propanoic acid
SMILESCOC1CN(C(CN)C(=O)O)CCC1C
InChIInChI=1S/C10H20N2O3/c1-7-3-4-12(6-9(7)15-2)8(5-11)10(13)14/h7-9H,3-6,11H2,1-2H3,(H,13,14)
InChIKeyJJKAQFJMCOIDCE-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.24
Rot. Bonds4

About 3-amino-2-(3-methoxy-4-methylpiperidin-1-yl)propanoic acid

3-amino-2-(3-methoxy-4-methylpiperidin-1-yl)propanoic acid (PubChem CID 102964894) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-amino-2-(3-methoxy-4-methylpiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(3-methoxy-4-methylpiperidin-1-yl)propanoic acid
PubChem CID102964894
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-amino-2-(3-methoxy-4-methylpiperidin-1-yl)propanoic acid
SMILESCOC1CN(C(CN)C(=O)O)CCC1C
InChIInChI=1S/C10H20N2O3/c1-7-3-4-12(6-9(7)15-2)8(5-11)10(13)14/h7-9H,3-6,11H2,1-2H3,(H,13,14)
InChIKeyJJKAQFJMCOIDCE-UHFFFAOYSA-N
XLogP-0.24
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-2-(3-methoxy-4-methylpiperidin-1-yl)propanoic acid 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

3-amino-2-(3-methylpyrrolidin-1-yl)propanoic acid
CID 64693345
4-amino-3-(3-methoxy-4-methylpiperidin-1-yl)-1-piperidin-1-ylbutan-1-one
CID 102965004
3-amino-2-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid
CID 64695225
2-(3-methoxy-4-methylpiperidin-1-yl)pentan-3-one
CID 102960462
4,4-dimethoxy-2-(3-methoxy-4-methylpiperidin-1-yl)butan-1-amine
CID 102964864
3-amino-2-(4-ethoxypiperidin-1-yl)propanoic acid
CID 64693139
2-(3-methoxy-4-methylpiperidin-1-yl)-2-(5-methyloxolan-2-yl)ethanamine
CID 102965010
1-amino-4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylpentan-2-ol
CID 102968987
2-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-one
CID 102960458
3-amino-2-(3-ethoxypiperidin-1-yl)propanoic acid
CID 64696034
2-(3,4-difluorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102964877
2-(2-ethylphenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102964789

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-methoxy-4-methylpiperidin-1-yl)propanoic acid?
The IUPAC name of 3-amino-2-(3-methoxy-4-methylpiperidin-1-yl)propanoic acid (CID 102964894) is 3-amino-2-(3-methoxy-4-methylpiperidin-1-yl)propanoic acid.
What is the SMILES notation for 3-amino-2-(3-methoxy-4-methylpiperidin-1-yl)propanoic acid?
The canonical SMILES for 3-amino-2-(3-methoxy-4-methylpiperidin-1-yl)propanoic acid is COC1CN(C(CN)C(=O)O)CCC1C.
What is the InChIKey of 3-amino-2-(3-methoxy-4-methylpiperidin-1-yl)propanoic acid?
The InChIKey is JJKAQFJMCOIDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7-3-4-12(6-9(7)15-2)8(5-11)10(13)14/h7-9H,3-6,11H2,1-2H3,(H,13,14).
What are the key properties of 3-amino-2-(3-methoxy-4-methylpiperidin-1-yl)propanoic acid?
3-amino-2-(3-methoxy-4-methylpiperidin-1-yl)propanoic acid has a molecular weight of 216.28 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-methoxy-4-methylpiperidin-1-yl)propanoic acid is sourced from PubChem (CID 102964894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).