2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]acetic acid

C10H19N3O3 — CID 83019507

IUPAC2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]acetic acid
SMILESCC1CCCC(C)N1NC(=O)NCC(=O)O
InChIInChI=1S/C10H19N3O3/c1-7-4-3-5-8(2)13(7)12-10(16)11-6-9(14)15/h7-8H,3-6H2,1-2H3,(H,14,15)(H2,11,12,16)
InChIKeyXIJHDTLSKGROIK-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.55
Rot. Bonds3

About 2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]acetic acid

2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]acetic acid (PubChem CID 83019507) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]acetic acid
PubChem CID83019507
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]acetic acid
SMILESCC1CCCC(C)N1NC(=O)NCC(=O)O
InChIInChI=1S/C10H19N3O3/c1-7-4-3-5-8(2)13(7)12-10(16)11-6-9(14)15/h7-8H,3-6H2,1-2H3,(H,14,15)(H2,11,12,16)
InChIKeyXIJHDTLSKGROIK-UHFFFAOYSA-N
XLogP0.55
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]acetic acid?
The IUPAC name of 2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]acetic acid (CID 83019507) is 2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]acetic acid.
What is the SMILES notation for 2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]acetic acid?
The canonical SMILES for 2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]acetic acid is CC1CCCC(C)N1NC(=O)NCC(=O)O.
What is the InChIKey of 2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]acetic acid?
The InChIKey is XIJHDTLSKGROIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-7-4-3-5-8(2)13(7)12-10(16)11-6-9(14)15/h7-8H,3-6H2,1-2H3,(H,14,15)(H2,11,12,16).
What are the key properties of 2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]acetic acid?
2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]acetic acid has a molecular weight of 229.28 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]acetic acid is sourced from PubChem (CID 83019507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).