2-methyl-2-[(1-methylpiperidine-4-carbonyl)amino]propanoic acid

C11H20N2O3 — CID 110837238

IUPAC2-methyl-2-[(1-methylpiperidine-4-carbonyl)amino]propanoic acid
SMILESCN1CCC(C(=O)NC(C)(C)C(=O)O)CC1
InChIInChI=1S/C11H20N2O3/c1-11(2,10(15)16)12-9(14)8-4-6-13(3)7-5-8/h8H,4-7H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyRAPBPWWLYDFBAN-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.31
Rot. Bonds3

About 2-methyl-2-[(1-methylpiperidine-4-carbonyl)amino]propanoic acid

2-methyl-2-[(1-methylpiperidine-4-carbonyl)amino]propanoic acid (PubChem CID 110837238) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-methyl-2-[(1-methylpiperidine-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(1-methylpiperidine-4-carbonyl)amino]propanoic acid
PubChem CID110837238
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-methyl-2-[(1-methylpiperidine-4-carbonyl)amino]propanoic acid
SMILESCN1CCC(C(=O)NC(C)(C)C(=O)O)CC1
InChIInChI=1S/C11H20N2O3/c1-11(2,10(15)16)12-9(14)8-4-6-13(3)7-5-8/h8H,4-7H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyRAPBPWWLYDFBAN-UHFFFAOYSA-N
XLogP0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1-methylpiperidine-4-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[(1-methylpiperidine-4-carbonyl)amino]propanoic acid (CID 110837238) is 2-methyl-2-[(1-methylpiperidine-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(1-methylpiperidine-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[(1-methylpiperidine-4-carbonyl)amino]propanoic acid is CN1CCC(C(=O)NC(C)(C)C(=O)O)CC1.
What is the InChIKey of 2-methyl-2-[(1-methylpiperidine-4-carbonyl)amino]propanoic acid?
The InChIKey is RAPBPWWLYDFBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(2,10(15)16)12-9(14)8-4-6-13(3)7-5-8/h8H,4-7H2,1-3H3,(H,12,14)(H,15,16).
What are the key properties of 2-methyl-2-[(1-methylpiperidine-4-carbonyl)amino]propanoic acid?
2-methyl-2-[(1-methylpiperidine-4-carbonyl)amino]propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1-methylpiperidine-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 110837238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).