2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-prop-2-enylamino]acetic acid

C13H23N3O3 — CID 83019591

IUPAC2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)NN1C(C)CCCC1C
InChIInChI=1S/C13H23N3O3/c1-4-8-15(9-12(17)18)13(19)14-16-10(2)6-5-7-11(16)3/h4,10-11H,1,5-9H2,2-3H3,(H,14,19)(H,17,18)
InChIKeyRLSNHWSXZRTMCB-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.45
Rot. Bonds5

About 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-prop-2-enylamino]acetic acid

2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-prop-2-enylamino]acetic acid (PubChem CID 83019591) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-prop-2-enylamino]acetic acid
PubChem CID83019591
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)NN1C(C)CCCC1C
InChIInChI=1S/C13H23N3O3/c1-4-8-15(9-12(17)18)13(19)14-16-10(2)6-5-7-11(16)3/h4,10-11H,1,5-9H2,2-3H3,(H,14,19)(H,17,18)
InChIKeyRLSNHWSXZRTMCB-UHFFFAOYSA-N
XLogP1.45
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-prop-2-enylamino]acetic acid (CID 83019591) is 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)NN1C(C)CCCC1C.
What is the InChIKey of 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-prop-2-enylamino]acetic acid?
The InChIKey is RLSNHWSXZRTMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-4-8-15(9-12(17)18)13(19)14-16-10(2)6-5-7-11(16)3/h4,10-11H,1,5-9H2,2-3H3,(H,14,19)(H,17,18).
What are the key properties of 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-prop-2-enylamino]acetic acid?
2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-prop-2-enylamino]acetic acid has a molecular weight of 269.34 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-prop-2-enylamino]acetic acid is sourced from PubChem (CID 83019591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).