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

C11H20N2O3 — CID 61266922

IUPAC2-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCC1CCCCN1C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-8-6-4-5-7-13(8)10(16)12-11(2,3)9(14)15/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyJBXJPWAJCAFDDW-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.43
Rot. Bonds2

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

2-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]propanoic acid (PubChem CID 61266922) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]propanoic acid
PubChem CID61266922
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCC1CCCCN1C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-8-6-4-5-7-13(8)10(16)12-11(2,3)9(14)15/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyJBXJPWAJCAFDDW-UHFFFAOYSA-N
XLogP1.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3-trimethyl-3-[(2-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 65266023
2,2,3-trimethyl-3-[(2-methylazepane-1-carbonyl)amino]butanoic acid
CID 65265276
2-methyl-2-[(2-methylazepane-1-carbonyl)amino]butanoic acid
CID 79801930
2-[(2-ethylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 61267134
2-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 61265168
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)-2-methylpropanoic acid
CID 65320041
(2S)-3,3-dimethyl-2-[(2-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 61188083
N-ethenyl-2-methylpiperidine-1-carboxamide
CID 108909188
N-[2-(4-fluorophenyl)propan-2-yl]-2-methylpiperidine-1-carboxamide
CID 110490552
2-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]-2-methylpropanoic acid
CID 55128241
2-hydroxy-2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one
CID 103429254
N-cyclohexyl-2-methylpiperidine-1-carboxamide;ethane
CID 142002534

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]propanoic acid (CID 61266922) is 2-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]propanoic acid is CC1CCCCN1C(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]propanoic acid?
The InChIKey is JBXJPWAJCAFDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8-6-4-5-7-13(8)10(16)12-11(2,3)9(14)15/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 2-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]propanoic acid?
2-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 61266922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).