2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-prop-2-ynylamino]acetic acid

C14H22N2O3 — CID 79283995

IUPAC2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)CC(=O)N1C(C)CCCC1C
InChIInChI=1S/C14H22N2O3/c1-4-8-15(10-14(18)19)9-13(17)16-11(2)6-5-7-12(16)3/h1,11-12H,5-10H2,2-3H3,(H,18,19)
InChIKeyLZZVADSFHCPLOX-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.80
Rot. Bonds5

About 2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-prop-2-ynylamino]acetic acid

2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-prop-2-ynylamino]acetic acid (PubChem CID 79283995) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-prop-2-ynylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-prop-2-ynylamino]acetic acid
PubChem CID79283995
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)CC(=O)N1C(C)CCCC1C
InChIInChI=1S/C14H22N2O3/c1-4-8-15(10-14(18)19)9-13(17)16-11(2)6-5-7-12(16)3/h1,11-12H,5-10H2,2-3H3,(H,18,19)
InChIKeyLZZVADSFHCPLOX-UHFFFAOYSA-N
XLogP0.80
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone
CID 60696842
2-[cycloheptylmethyl(prop-2-ynyl)amino]acetic acid
CID 79287703
2-[ethyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid
CID 54900105
(2R)-2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid
CID 124835751
1-(2,6-dimethylpiperidin-1-yl)-2-[ethyl(piperidin-2-ylmethyl)amino]ethanone
CID 106632312
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one
CID 103715004
2-[(2,6-dimethylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid
CID 61189877
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 107485259
2-[(3-methylcyclohexyl)-prop-2-ynylamino]acetic acid
CID 79284759
2-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid
CID 43442399
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone
CID 97051854
2-(dipropylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 86910557

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-prop-2-ynylamino]acetic acid?
The IUPAC name of 2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-prop-2-ynylamino]acetic acid (CID 79283995) is 2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-prop-2-ynylamino]acetic acid.
What is the SMILES notation for 2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-prop-2-ynylamino]acetic acid?
The canonical SMILES for 2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-prop-2-ynylamino]acetic acid is C#CCN(CC(=O)O)CC(=O)N1C(C)CCCC1C.
What is the InChIKey of 2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-prop-2-ynylamino]acetic acid?
The InChIKey is LZZVADSFHCPLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-8-15(10-14(18)19)9-13(17)16-11(2)6-5-7-12(16)3/h1,11-12H,5-10H2,2-3H3,(H,18,19).
What are the key properties of 2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-prop-2-ynylamino]acetic acid?
2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-prop-2-ynylamino]acetic acid has a molecular weight of 266.34 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-prop-2-ynylamino]acetic acid is sourced from PubChem (CID 79283995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).