2-methyl-3-[methyl-(4-methylpiperidine-1-carbonyl)amino]propanoic acid

C12H22N2O3 — CID 55007166

IUPAC2-methyl-3-[methyl-(4-methylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCC1CCN(C(=O)N(C)CC(C)C(=O)O)CC1
InChIInChI=1S/C12H22N2O3/c1-9-4-6-14(7-5-9)12(17)13(3)8-10(2)11(15)16/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKeyMNZNSIJCGOQQKT-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.49
Rot. Bonds3

About 2-methyl-3-[methyl-(4-methylpiperidine-1-carbonyl)amino]propanoic acid

2-methyl-3-[methyl-(4-methylpiperidine-1-carbonyl)amino]propanoic acid (PubChem CID 55007166) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-methyl-3-[methyl-(4-methylpiperidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-(4-methylpiperidine-1-carbonyl)amino]propanoic acid
PubChem CID55007166
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-methyl-3-[methyl-(4-methylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCC1CCN(C(=O)N(C)CC(C)C(=O)O)CC1
InChIInChI=1S/C12H22N2O3/c1-9-4-6-14(7-5-9)12(17)13(3)8-10(2)11(15)16/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKeyMNZNSIJCGOQQKT-UHFFFAOYSA-N
XLogP1.49
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-tert-butylpiperidine-1-carbonyl)-methylamino]-2-methylpropanoic acid
CID 62084014
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,4-dimethylpiperidine-1-carboxamide
CID 79159659
3-[(4-cyclopropylpiperazine-1-carbonyl)-methylamino]-2-methylpropanoic acid
CID 55007622
N-(3-amino-3-imino-2-methylpropyl)-N,4-dimethylpiperidine-1-carboxamide
CID 79163331
3-[[3-(diethylamino)pyrrolidine-1-carbonyl]-methylamino]-2-methylpropanoic acid
CID 63548994
3-[(4-ethoxycarbonylpiperazine-1-carbonyl)-methylamino]-2-methylpropanoic acid
CID 107877476
3-[[1-(dimethylcarbamoyl)piperidin-4-yl]-ethylamino]-2-methylpropanoic acid
CID 83265975
2-methyl-3-[methyl-(2-methyl-1,4-oxazepane-4-carbonyl)amino]propanoic acid
CID 55140571
N,4-dimethyl-N-pentylpiperidine-1-carboxamide
CID 116654214
2-methyl-3-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-prop-2-enylamino]propanoic acid
CID 82326930
2-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpropanoic acid
CID 64915687
N-(1-methoxypropan-2-yl)-N,4-dimethylpiperidine-1-carboxamide
CID 116654677

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-(4-methylpiperidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-(4-methylpiperidine-1-carbonyl)amino]propanoic acid (CID 55007166) is 2-methyl-3-[methyl-(4-methylpiperidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-(4-methylpiperidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-(4-methylpiperidine-1-carbonyl)amino]propanoic acid is CC1CCN(C(=O)N(C)CC(C)C(=O)O)CC1.
What is the InChIKey of 2-methyl-3-[methyl-(4-methylpiperidine-1-carbonyl)amino]propanoic acid?
The InChIKey is MNZNSIJCGOQQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9-4-6-14(7-5-9)12(17)13(3)8-10(2)11(15)16/h9-10H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 2-methyl-3-[methyl-(4-methylpiperidine-1-carbonyl)amino]propanoic acid?
2-methyl-3-[methyl-(4-methylpiperidine-1-carbonyl)amino]propanoic acid has a molecular weight of 242.32 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-(4-methylpiperidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 55007166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).