2-hydroxy-2-methyl-3-[(3-methylpiperidine-3-carbonyl)amino]propanoic acid

C11H20N2O4 — CID 66177466

IUPAC2-hydroxy-2-methyl-3-[(3-methylpiperidine-3-carbonyl)amino]propanoic acid
SMILESCC(O)(CNC(=O)C1(C)CCCNC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-10(4-3-5-12-6-10)8(14)13-7-11(2,17)9(15)16/h12,17H,3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyCEFMKHLMUUPMJP-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.67
Rot. Bonds4

About 2-hydroxy-2-methyl-3-[(3-methylpiperidine-3-carbonyl)amino]propanoic acid

2-hydroxy-2-methyl-3-[(3-methylpiperidine-3-carbonyl)amino]propanoic acid (PubChem CID 66177466) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[(3-methylpiperidine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[(3-methylpiperidine-3-carbonyl)amino]propanoic acid
PubChem CID66177466
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-hydroxy-2-methyl-3-[(3-methylpiperidine-3-carbonyl)amino]propanoic acid
SMILESCC(O)(CNC(=O)C1(C)CCCNC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-10(4-3-5-12-6-10)8(14)13-7-11(2,17)9(15)16/h12,17H,3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyCEFMKHLMUUPMJP-UHFFFAOYSA-N
XLogP-0.67
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[(3-methylpiperidine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[(3-methylpiperidine-3-carbonyl)amino]propanoic acid (CID 66177466) is 2-hydroxy-2-methyl-3-[(3-methylpiperidine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[(3-methylpiperidine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[(3-methylpiperidine-3-carbonyl)amino]propanoic acid is CC(O)(CNC(=O)C1(C)CCCNC1)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-[(3-methylpiperidine-3-carbonyl)amino]propanoic acid?
The InChIKey is CEFMKHLMUUPMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-10(4-3-5-12-6-10)8(14)13-7-11(2,17)9(15)16/h12,17H,3-7H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-hydroxy-2-methyl-3-[(3-methylpiperidine-3-carbonyl)amino]propanoic acid?
2-hydroxy-2-methyl-3-[(3-methylpiperidine-3-carbonyl)amino]propanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.67, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-[(3-methylpiperidine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 66177466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).