2-[methyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]acetic acid

C12H22N2O3 — CID 83199032

IUPAC2-[methyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)C(C)(C)C1CCCNC1
InChIInChI=1S/C12H22N2O3/c1-12(2,9-5-4-6-13-7-9)11(17)14(3)8-10(15)16/h9,13H,4-8H2,1-3H3,(H,15,16)
InChIKeyOJHGVDWXCWAYMU-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.56
Rot. Bonds4

About 2-[methyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]acetic acid

2-[methyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]acetic acid (PubChem CID 83199032) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[methyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]acetic acid
PubChem CID83199032
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[methyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)C(C)(C)C1CCCNC1
InChIInChI=1S/C12H22N2O3/c1-12(2,9-5-4-6-13-7-9)11(17)14(3)8-10(15)16/h9,13H,4-8H2,1-3H3,(H,15,16)
InChIKeyOJHGVDWXCWAYMU-UHFFFAOYSA-N
XLogP0.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-oxoethyl)-N,2-dimethyl-2-piperidin-3-ylpropanamide
CID 83198334
2-[(2-methyl-2-piperidin-3-ylpropanoyl)-propan-2-ylamino]acetic acid
CID 83198346
3-[tert-butyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid
CID 83198568
N,2-dimethyl-2-piperidin-3-yl-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 83199189
N-(2-hydroxy-3-methoxypropyl)-N,2-dimethyl-2-piperidin-3-ylpropanamide
CID 83200036
N-[(4-bromophenyl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropanamide
CID 83034269
N,2-dimethyl-N-(oxan-2-ylmethyl)-2-piperidin-3-ylpropanamide
CID 83031069
N,N-bis(2-hydroxyethyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83199754
N,2-dimethyl-N-phenyl-2-piperidin-3-ylpropanamide
CID 83031422
N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-2-piperidin-3-yl-N-propylpropanamide
CID 83198718
N,2-dimethyl-N-(1-methylsulfanylpropan-2-yl)-2-piperidin-3-ylpropanamide
CID 112659398
N-ethyl-2-methyl-N-phenyl-2-piperidin-3-ylpropanamide
CID 83198421

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]acetic acid?
The IUPAC name of 2-[methyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]acetic acid (CID 83199032) is 2-[methyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]acetic acid is CN(CC(=O)O)C(=O)C(C)(C)C1CCCNC1.
What is the InChIKey of 2-[methyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]acetic acid?
The InChIKey is OJHGVDWXCWAYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,9-5-4-6-13-7-9)11(17)14(3)8-10(15)16/h9,13H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 2-[methyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]acetic acid?
2-[methyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]acetic acid is sourced from PubChem (CID 83199032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).