4-[(2,6-dimethylpiperidin-1-yl)carbamoyl-propan-2-ylamino]butanoic acid

C15H29N3O3 — CID 83017156

IUPAC4-[(2,6-dimethylpiperidin-1-yl)carbamoyl-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)NN1C(C)CCCC1C
InChIInChI=1S/C15H29N3O3/c1-11(2)17(10-6-9-14(19)20)15(21)16-18-12(3)7-5-8-13(18)4/h11-13H,5-10H2,1-4H3,(H,16,21)(H,19,20)
InChIKeySKAGCKQTWMGKLL-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.45
Rot. Bonds6

About 4-[(2,6-dimethylpiperidin-1-yl)carbamoyl-propan-2-ylamino]butanoic acid

4-[(2,6-dimethylpiperidin-1-yl)carbamoyl-propan-2-ylamino]butanoic acid (PubChem CID 83017156) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 4-[(2,6-dimethylpiperidin-1-yl)carbamoyl-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[(2,6-dimethylpiperidin-1-yl)carbamoyl-propan-2-ylamino]butanoic acid
PubChem CID83017156
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name4-[(2,6-dimethylpiperidin-1-yl)carbamoyl-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)NN1C(C)CCCC1C
InChIInChI=1S/C15H29N3O3/c1-11(2)17(10-6-9-14(19)20)15(21)16-18-12(3)7-5-8-13(18)4/h11-13H,5-10H2,1-4H3,(H,16,21)(H,19,20)
InChIKeySKAGCKQTWMGKLL-UHFFFAOYSA-N
XLogP2.45
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylpiperidin-1-yl)carbamoyl-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[(2,6-dimethylpiperidin-1-yl)carbamoyl-propan-2-ylamino]butanoic acid (CID 83017156) is 4-[(2,6-dimethylpiperidin-1-yl)carbamoyl-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[(2,6-dimethylpiperidin-1-yl)carbamoyl-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[(2,6-dimethylpiperidin-1-yl)carbamoyl-propan-2-ylamino]butanoic acid is CC(C)N(CCCC(=O)O)C(=O)NN1C(C)CCCC1C.
What is the InChIKey of 4-[(2,6-dimethylpiperidin-1-yl)carbamoyl-propan-2-ylamino]butanoic acid?
The InChIKey is SKAGCKQTWMGKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-11(2)17(10-6-9-14(19)20)15(21)16-18-12(3)7-5-8-13(18)4/h11-13H,5-10H2,1-4H3,(H,16,21)(H,19,20).
What are the key properties of 4-[(2,6-dimethylpiperidin-1-yl)carbamoyl-propan-2-ylamino]butanoic acid?
4-[(2,6-dimethylpiperidin-1-yl)carbamoyl-propan-2-ylamino]butanoic acid has a molecular weight of 299.42 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylpiperidin-1-yl)carbamoyl-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 83017156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).