2-[1-[2-[acetyl(methyl)amino]acetyl]piperidin-2-yl]acetic acid

C12H20N2O4 — CID 54899944

IUPAC2-[1-[2-[acetyl(methyl)amino]acetyl]piperidin-2-yl]acetic acid
SMILESCC(=O)N(C)CC(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C12H20N2O4/c1-9(15)13(2)8-11(16)14-6-4-3-5-10(14)7-12(17)18/h10H,3-8H2,1-2H3,(H,17,18)
InChIKeyWUEQBQZNAPLRLT-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.32
Rot. Bonds4

About 2-[1-[2-[acetyl(methyl)amino]acetyl]piperidin-2-yl]acetic acid

2-[1-[2-[acetyl(methyl)amino]acetyl]piperidin-2-yl]acetic acid (PubChem CID 54899944) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[1-[2-[acetyl(methyl)amino]acetyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[acetyl(methyl)amino]acetyl]piperidin-2-yl]acetic acid
PubChem CID54899944
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[1-[2-[acetyl(methyl)amino]acetyl]piperidin-2-yl]acetic acid
SMILESCC(=O)N(C)CC(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C12H20N2O4/c1-9(15)13(2)8-11(16)14-6-4-3-5-10(14)7-12(17)18/h10H,3-8H2,1-2H3,(H,17,18)
InChIKeyWUEQBQZNAPLRLT-UHFFFAOYSA-N
XLogP0.32
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-1-[2-(dimethylcarbamoylamino)acetyl]piperidin-2-yl]acetic acid
CID 126443322
2-(1-butanoylpiperidin-2-yl)acetic acid
CID 61010375
2-[1-[cyclohexylmethyl(methyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61444100
2-[1-[2-methoxyethyl(methyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61428394
2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]acetic acid
CID 61370257
2-[1-(3-methylbut-2-enoyl)piperidin-2-yl]acetic acid
CID 61009139
2-[(2R)-1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidin-2-yl]acetic acid
CID 126423639
2-[1-(piperidine-1-carbonyl)piperidin-2-yl]acetic acid
CID 61181297
2-[1-[(E)-but-2-enoyl]piperidin-2-yl]acetic acid
CID 61010954
2-[1-[2-(2-methoxyethylsulfanyl)acetyl]piperidin-2-yl]acetic acid
CID 54899945
N-ethyl-N-methyl-2-(2-oxopropyl)azepane-1-carboxamide
CID 79553142
2-[1-(tert-butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010694

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[acetyl(methyl)amino]acetyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-[acetyl(methyl)amino]acetyl]piperidin-2-yl]acetic acid (CID 54899944) is 2-[1-[2-[acetyl(methyl)amino]acetyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-[acetyl(methyl)amino]acetyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-[acetyl(methyl)amino]acetyl]piperidin-2-yl]acetic acid is CC(=O)N(C)CC(=O)N1CCCCC1CC(=O)O.
What is the InChIKey of 2-[1-[2-[acetyl(methyl)amino]acetyl]piperidin-2-yl]acetic acid?
The InChIKey is WUEQBQZNAPLRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-9(15)13(2)8-11(16)14-6-4-3-5-10(14)7-12(17)18/h10H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-[2-[acetyl(methyl)amino]acetyl]piperidin-2-yl]acetic acid?
2-[1-[2-[acetyl(methyl)amino]acetyl]piperidin-2-yl]acetic acid has a molecular weight of 256.30 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[acetyl(methyl)amino]acetyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 54899944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).