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

C11H20N2O3 — CID 64581514

IUPAC2-acetamido-3-(4-methylpiperidin-1-yl)propanoic acid
SMILESCC(=O)NC(CN1CCC(C)CC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-8-3-5-13(6-4-8)7-10(11(15)16)12-9(2)14/h8,10H,3-7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyFHVQWESFXPSKDC-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.31
Rot. Bonds4

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

2-acetamido-3-(4-methylpiperidin-1-yl)propanoic acid (PubChem CID 64581514) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-acetamido-3-(4-methylpiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(4-methylpiperidin-1-yl)propanoic acid
PubChem CID64581514
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-acetamido-3-(4-methylpiperidin-1-yl)propanoic acid
SMILESCC(=O)NC(CN1CCC(C)CC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-8-3-5-13(6-4-8)7-10(11(15)16)12-9(2)14/h8,10H,3-7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyFHVQWESFXPSKDC-UHFFFAOYSA-N
XLogP0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-3-(4-propylpiperazin-1-yl)propanoic acid
CID 64581512
3-(4-methylazepan-1-yl)-2-(propylamino)propanoic acid
CID 63623597
2-acetamido-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid
CID 66392329
2-acetamido-3-(4-methylsulfonylpiperazin-1-yl)propanoic acid
CID 64582929
2-acetamido-3-(4-ethyl-4-methylpiperidin-1-yl)propanoic acid
CID 64582932
2-acetamido-3-(4-methylcyclohexyl)sulfanylpropanoic acid
CID 64748705
2-methyl-3-(3-methylpyrrolidin-1-yl)propanoic acid
CID 61225596
methyl 2-(methylamino)-3-(4-methylazepan-1-yl)propanoate
CID 63623762
2-acetamido-3-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanoic acid
CID 114512718
2-acetamido-3-(2-ethylpyrrolidin-1-yl)propanoic acid
CID 64581919
2-acetamido-3-(4-methoxy-2-methylpiperidin-1-yl)propanoic acid
CID 114221286
2-acetamido-3-(3-oxopiperazin-1-yl)propanoic acid
CID 64582295

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(4-methylpiperidin-1-yl)propanoic acid?
The IUPAC name of 2-acetamido-3-(4-methylpiperidin-1-yl)propanoic acid (CID 64581514) is 2-acetamido-3-(4-methylpiperidin-1-yl)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(4-methylpiperidin-1-yl)propanoic acid?
The canonical SMILES for 2-acetamido-3-(4-methylpiperidin-1-yl)propanoic acid is CC(=O)NC(CN1CCC(C)CC1)C(=O)O.
What is the InChIKey of 2-acetamido-3-(4-methylpiperidin-1-yl)propanoic acid?
The InChIKey is FHVQWESFXPSKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8-3-5-13(6-4-8)7-10(11(15)16)12-9(2)14/h8,10H,3-7H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 2-acetamido-3-(4-methylpiperidin-1-yl)propanoic acid?
2-acetamido-3-(4-methylpiperidin-1-yl)propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(4-methylpiperidin-1-yl)propanoic acid is sourced from PubChem (CID 64581514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).