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

C12H22N2O4 — CID 114221286

IUPAC2-acetamido-3-(4-methoxy-2-methylpiperidin-1-yl)propanoic acid
SMILESCOC1CCN(CC(NC(C)=O)C(=O)O)C(C)C1
InChIInChI=1S/C12H22N2O4/c1-8-6-10(18-3)4-5-14(8)7-11(12(16)17)13-9(2)15/h8,10-11H,4-7H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyGOGPOWDOHWFLKE-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.08
Rot. Bonds5

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

2-acetamido-3-(4-methoxy-2-methylpiperidin-1-yl)propanoic acid (PubChem CID 114221286) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-acetamido-3-(4-methoxy-2-methylpiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(4-methoxy-2-methylpiperidin-1-yl)propanoic acid
PubChem CID114221286
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-acetamido-3-(4-methoxy-2-methylpiperidin-1-yl)propanoic acid
SMILESCOC1CCN(CC(NC(C)=O)C(=O)O)C(C)C1
InChIInChI=1S/C12H22N2O4/c1-8-6-10(18-3)4-5-14(8)7-11(12(16)17)13-9(2)15/h8,10-11H,4-7H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyGOGPOWDOHWFLKE-UHFFFAOYSA-N
XLogP0.08
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-acetamidopropanoic acid
CID 82749831
3-[(4-methoxy-2-methylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 114221407
(2R)-2-acetamido-3-(3-methoxycyclohexyl)sulfanylpropanoic acid
CID 107774331
2-acetamido-3-(4-methylpiperidin-1-yl)propanoic acid
CID 64581514
methyl 3-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-methylpropanoate
CID 112622716
2-acetamido-3-(2-ethylpyrrolidin-1-yl)propanoic acid
CID 64581919
3-(ethylamino)-1-(4-methoxy-2-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 114220970
methyl 3-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)propanoate
CID 62331651
1-[2-(4-methoxy-2-methylpiperidin-1-yl)acetyl]piperidin-4-one
CID 114221342
2-acetamido-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanoic acid
CID 64582737
4-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)-4-methylpentan-3-one
CID 114229025
2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanoic acid
CID 103536055

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(4-methoxy-2-methylpiperidin-1-yl)propanoic acid?
The IUPAC name of 2-acetamido-3-(4-methoxy-2-methylpiperidin-1-yl)propanoic acid (CID 114221286) is 2-acetamido-3-(4-methoxy-2-methylpiperidin-1-yl)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(4-methoxy-2-methylpiperidin-1-yl)propanoic acid?
The canonical SMILES for 2-acetamido-3-(4-methoxy-2-methylpiperidin-1-yl)propanoic acid is COC1CCN(CC(NC(C)=O)C(=O)O)C(C)C1.
What is the InChIKey of 2-acetamido-3-(4-methoxy-2-methylpiperidin-1-yl)propanoic acid?
The InChIKey is GOGPOWDOHWFLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-8-6-10(18-3)4-5-14(8)7-11(12(16)17)13-9(2)15/h8,10-11H,4-7H2,1-3H3,(H,13,15)(H,16,17).
What are the key properties of 2-acetamido-3-(4-methoxy-2-methylpiperidin-1-yl)propanoic acid?
2-acetamido-3-(4-methoxy-2-methylpiperidin-1-yl)propanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(4-methoxy-2-methylpiperidin-1-yl)propanoic acid is sourced from PubChem (CID 114221286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).