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

C10H20N2O2 — CID 116938112

IUPAC3-amino-2-methyl-3-(1-methylpiperidin-4-yl)propanoic acid
SMILESCC(C(=O)O)C(N)C1CCN(C)CC1
InChIInChI=1S/C10H20N2O2/c1-7(10(13)14)9(11)8-3-5-12(2)6-4-8/h7-9H,3-6,11H2,1-2H3,(H,13,14)
InChIKeyMTGIAHRFQXDWRT-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.38
Rot. Bonds3

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

3-amino-2-methyl-3-(1-methylpiperidin-4-yl)propanoic acid (PubChem CID 116938112) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-amino-2-methyl-3-(1-methylpiperidin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-2-methyl-3-(1-methylpiperidin-4-yl)propanoic acid
PubChem CID116938112
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-amino-2-methyl-3-(1-methylpiperidin-4-yl)propanoic acid
SMILESCC(C(=O)O)C(N)C1CCN(C)CC1
InChIInChI=1S/C10H20N2O2/c1-7(10(13)14)9(11)8-3-5-12(2)6-4-8/h7-9H,3-6,11H2,1-2H3,(H,13,14)
InChIKeyMTGIAHRFQXDWRT-UHFFFAOYSA-N
XLogP0.38
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-2-methyl-3-(1-methylpiperidin-4-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

2-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid
CID 79406516
3,3-dimethyl-2-(1-methylpiperidin-4-yl)butanoic acid
CID 116825069
2,3-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid
CID 103495844
1-(1-methylpiperidin-4-yl)ethylurea
CID 126990260
2,3-dimethyl-4-[(1-methylpiperidin-4-yl)methylamino]-4-oxobutanoic acid
CID 103498156
4-amino-3,3-dimethyl-4-(1-methylpiperidin-4-yl)butanoic acid
CID 116938352
5-amino-5-(1-methylpiperidin-4-yl)pentan-2-one
CID 116940794
2-(1-methylpiperidin-4-yl)hexanoic acid
CID 174928941
methyl 2-amino-3-fluoro-3-(1-methylpiperidin-4-yl)propanoate
CID 105472579
2,3-bis(methylamino)-3-(1-methylpiperidin-4-yl)propanoic acid
CID 116961141
2-amino-2-(1-methylpiperidin-4-yl)acetaldehyde
CID 116939114
4-hydroxy-3-(1-methylpiperidin-4-yl)pentan-2-one
CID 59926372

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-3-(1-methylpiperidin-4-yl)propanoic acid?
The IUPAC name of 3-amino-2-methyl-3-(1-methylpiperidin-4-yl)propanoic acid (CID 116938112) is 3-amino-2-methyl-3-(1-methylpiperidin-4-yl)propanoic acid.
What is the SMILES notation for 3-amino-2-methyl-3-(1-methylpiperidin-4-yl)propanoic acid?
The canonical SMILES for 3-amino-2-methyl-3-(1-methylpiperidin-4-yl)propanoic acid is CC(C(=O)O)C(N)C1CCN(C)CC1.
What is the InChIKey of 3-amino-2-methyl-3-(1-methylpiperidin-4-yl)propanoic acid?
The InChIKey is MTGIAHRFQXDWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7(10(13)14)9(11)8-3-5-12(2)6-4-8/h7-9H,3-6,11H2,1-2H3,(H,13,14).
What are the key properties of 3-amino-2-methyl-3-(1-methylpiperidin-4-yl)propanoic acid?
3-amino-2-methyl-3-(1-methylpiperidin-4-yl)propanoic acid has a molecular weight of 200.28 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-3-(1-methylpiperidin-4-yl)propanoic acid is sourced from PubChem (CID 116938112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).