3-[tert-butyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]propanoic acid

C15H29N3O3 — CID 83017632

IUPAC3-[tert-butyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]propanoic acid
SMILESCC1CCCC(C)N1NC(=O)N(CCC(=O)O)C(C)(C)C
InChIInChI=1S/C15H29N3O3/c1-11-7-6-8-12(2)18(11)16-14(21)17(15(3,4)5)10-9-13(19)20/h11-12H,6-10H2,1-5H3,(H,16,21)(H,19,20)
InChIKeyPRQYIRQKUOHSIW-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.45
Rot. Bonds4

About 3-[tert-butyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]propanoic acid

3-[tert-butyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]propanoic acid (PubChem CID 83017632) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-[tert-butyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]propanoic acid
PubChem CID83017632
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name3-[tert-butyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]propanoic acid
SMILESCC1CCCC(C)N1NC(=O)N(CCC(=O)O)C(C)(C)C
InChIInChI=1S/C15H29N3O3/c1-11-7-6-8-12(2)18(11)16-14(21)17(15(3,4)5)10-9-13(19)20/h11-12H,6-10H2,1-5H3,(H,16,21)(H,19,20)
InChIKeyPRQYIRQKUOHSIW-UHFFFAOYSA-N
XLogP2.45
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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 3-[tert-butyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[tert-butyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]propanoic acid (CID 83017632) is 3-[tert-butyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]propanoic acid is CC1CCCC(C)N1NC(=O)N(CCC(=O)O)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]propanoic acid?
The InChIKey is PRQYIRQKUOHSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-11-7-6-8-12(2)18(11)16-14(21)17(15(3,4)5)10-9-13(19)20/h11-12H,6-10H2,1-5H3,(H,16,21)(H,19,20).
What are the key properties of 3-[tert-butyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]propanoic acid?
3-[tert-butyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]propanoic acid has a molecular weight of 299.42 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 83017632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).