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

C11H20N2O3 — CID 107068050

IUPAC2-methyl-2-[(3-methylpiperidine-2-carbonyl)amino]propanoic acid
SMILESCC1CCCNC1C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-7-5-4-6-12-8(7)9(14)13-11(2,3)10(15)16/h7-8,12H,4-6H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyPLXRHSAJDUPHOV-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.35
Rot. Bonds3

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

2-methyl-2-[(3-methylpiperidine-2-carbonyl)amino]propanoic acid (PubChem CID 107068050) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-methyl-2-[(3-methylpiperidine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(3-methylpiperidine-2-carbonyl)amino]propanoic acid
PubChem CID107068050
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-methyl-2-[(3-methylpiperidine-2-carbonyl)amino]propanoic acid
SMILESCC1CCCNC1C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-7-5-4-6-12-8(7)9(14)13-11(2,3)10(15)16/h7-8,12H,4-6H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyPLXRHSAJDUPHOV-UHFFFAOYSA-N
XLogP0.35
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-[(3-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 107068360
N-(2,2-dimethylpropyl)-3-methylpiperidine-2-carboxamide
CID 62338768
3-methyl-N-(2-methyl-2-methylsulfonylpropyl)piperidine-2-carboxamide
CID 79551044
2,2-dimethyl-1-(3-methylpiperidin-2-yl)propan-1-one
CID 176832528
N-(2-amino-2-oxoethyl)-3-methylpiperidine-2-carboxamide
CID 62338928
(2R)-3-hydroxy-2-[(3-methylpiperidine-2-carbonyl)amino]propanoic acid
CID 107068392
N-(2,3-dihydroxypropyl)-3-methylpiperidine-2-carboxamide
CID 107068312
1-[(2R,3S)-3-methylpiperidin-2-yl]ethanone
CID 95735292
1-(3-methylpiperidin-2-yl)ethanone
CID 54775356
3-methyl-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide
CID 102776765
N-(2-chloroprop-2-enyl)-3-methylpiperidine-2-carboxamide
CID 107068571
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methylpiperidine-2-carboxamide
CID 62340118

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(3-methylpiperidine-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[(3-methylpiperidine-2-carbonyl)amino]propanoic acid (CID 107068050) is 2-methyl-2-[(3-methylpiperidine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(3-methylpiperidine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[(3-methylpiperidine-2-carbonyl)amino]propanoic acid is CC1CCCNC1C(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[(3-methylpiperidine-2-carbonyl)amino]propanoic acid?
The InChIKey is PLXRHSAJDUPHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7-5-4-6-12-8(7)9(14)13-11(2,3)10(15)16/h7-8,12H,4-6H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 2-methyl-2-[(3-methylpiperidine-2-carbonyl)amino]propanoic acid?
2-methyl-2-[(3-methylpiperidine-2-carbonyl)amino]propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(3-methylpiperidine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 107068050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).