2-[cyclopropyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid

C13H23N3O3 — CID 83019667

IUPAC2-[cyclopropyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid
SMILESCC1CCCC(C)N1NC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C13H23N3O3/c1-9-4-3-5-10(2)16(9)14-13(19)15(8-12(17)18)11-6-7-11/h9-11H,3-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeySTIUNYXJJVEVPR-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.42
Rot. Bonds4

About 2-[cyclopropyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid

2-[cyclopropyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid (PubChem CID 83019667) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[cyclopropyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid
PubChem CID83019667
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-[cyclopropyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid
SMILESCC1CCCC(C)N1NC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C13H23N3O3/c1-9-4-3-5-10(2)16(9)14-13(19)15(8-12(17)18)11-6-7-11/h9-11H,3-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeySTIUNYXJJVEVPR-UHFFFAOYSA-N
XLogP1.42
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid (CID 83019667) is 2-[cyclopropyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid is CC1CCCC(C)N1NC(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid?
The InChIKey is STIUNYXJJVEVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-9-4-3-5-10(2)16(9)14-13(19)15(8-12(17)18)11-6-7-11/h9-11H,3-8H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 2-[cyclopropyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid?
2-[cyclopropyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid has a molecular weight of 269.34 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 83019667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).