2-[[4-(methoxymethyl)piperidine-4-carbonyl]-methylamino]propanoic acid

C12H22N2O4 — CID 114042027

IUPAC2-[[4-(methoxymethyl)piperidine-4-carbonyl]-methylamino]propanoic acid
SMILESCOCC1(C(=O)N(C)C(C)C(=O)O)CCNCC1
InChIInChI=1S/C12H22N2O4/c1-9(10(15)16)14(2)11(17)12(8-18-3)4-6-13-7-5-12/h9,13H,4-8H2,1-3H3,(H,15,16)
InChIKeyIOVHLKDGIZVQDL-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.07
Rot. Bonds5

About 2-[[4-(methoxymethyl)piperidine-4-carbonyl]-methylamino]propanoic acid

2-[[4-(methoxymethyl)piperidine-4-carbonyl]-methylamino]propanoic acid (PubChem CID 114042027) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[[4-(methoxymethyl)piperidine-4-carbonyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[4-(methoxymethyl)piperidine-4-carbonyl]-methylamino]propanoic acid
PubChem CID114042027
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[[4-(methoxymethyl)piperidine-4-carbonyl]-methylamino]propanoic acid
SMILESCOCC1(C(=O)N(C)C(C)C(=O)O)CCNCC1
InChIInChI=1S/C12H22N2O4/c1-9(10(15)16)14(2)11(17)12(8-18-3)4-6-13-7-5-12/h9,13H,4-8H2,1-3H3,(H,15,16)
InChIKeyIOVHLKDGIZVQDL-UHFFFAOYSA-N
XLogP-0.07
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride
CID 120622234
4-(methoxymethyl)-N-methyl-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
CID 114042034
N-(2,2-dimethylpropyl)-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride
CID 120624655
4-(methoxymethyl)-N-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 120636712
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide
CID 120635543
4-(methoxymethyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120617386
N-ethyl-N-(2-hydroxyethyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 114042000
N-ethyl-4-(methoxymethyl)-N-propylpiperidine-4-carboxamide;hydrochloride
CID 120620366
N-[2-(diethylamino)-2-oxoethyl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride
CID 120617930
(3R)-3-(methoxymethyl)pyrrolidine-3-carboxylic acid
CID 124593028
4-(methoxymethyl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 120623439
4-ethyl-N-(1-hydroxypropan-2-yl)-N-methylpiperidine-4-carboxamide
CID 104551835

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methoxymethyl)piperidine-4-carbonyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[4-(methoxymethyl)piperidine-4-carbonyl]-methylamino]propanoic acid (CID 114042027) is 2-[[4-(methoxymethyl)piperidine-4-carbonyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[4-(methoxymethyl)piperidine-4-carbonyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[4-(methoxymethyl)piperidine-4-carbonyl]-methylamino]propanoic acid is COCC1(C(=O)N(C)C(C)C(=O)O)CCNCC1.
What is the InChIKey of 2-[[4-(methoxymethyl)piperidine-4-carbonyl]-methylamino]propanoic acid?
The InChIKey is IOVHLKDGIZVQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-9(10(15)16)14(2)11(17)12(8-18-3)4-6-13-7-5-12/h9,13H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 2-[[4-(methoxymethyl)piperidine-4-carbonyl]-methylamino]propanoic acid?
2-[[4-(methoxymethyl)piperidine-4-carbonyl]-methylamino]propanoic acid has a molecular weight of 258.32 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methoxymethyl)piperidine-4-carbonyl]-methylamino]propanoic acid is sourced from PubChem (CID 114042027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).