3,3-dimethyl-2-(piperidin-1-ylcarbamoylamino)butanoic acid

C12H23N3O3 — CID 83019497

IUPAC3,3-dimethyl-2-(piperidin-1-ylcarbamoylamino)butanoic acid
SMILESCC(C)(C)C(NC(=O)NN1CCCCC1)C(=O)O
InChIInChI=1S/C12H23N3O3/c1-12(2,3)9(10(16)17)13-11(18)14-15-7-5-4-6-8-15/h9H,4-8H2,1-3H3,(H,16,17)(H2,13,14,18)
InChIKeySNBWSULGORLCIC-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.19
Rot. Bonds3

About 3,3-dimethyl-2-(piperidin-1-ylcarbamoylamino)butanoic acid

3,3-dimethyl-2-(piperidin-1-ylcarbamoylamino)butanoic acid (PubChem CID 83019497) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3,3-dimethyl-2-(piperidin-1-ylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-2-(piperidin-1-ylcarbamoylamino)butanoic acid
PubChem CID83019497
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name3,3-dimethyl-2-(piperidin-1-ylcarbamoylamino)butanoic acid
SMILESCC(C)(C)C(NC(=O)NN1CCCCC1)C(=O)O
InChIInChI=1S/C12H23N3O3/c1-12(2,3)9(10(16)17)13-11(18)14-15-7-5-4-6-8-15/h9H,4-8H2,1-3H3,(H,16,17)(H2,13,14,18)
InChIKeySNBWSULGORLCIC-UHFFFAOYSA-N
XLogP1.19
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(piperidin-1-ylcarbamoylamino)butanoic acid?
The IUPAC name of 3,3-dimethyl-2-(piperidin-1-ylcarbamoylamino)butanoic acid (CID 83019497) is 3,3-dimethyl-2-(piperidin-1-ylcarbamoylamino)butanoic acid.
What is the SMILES notation for 3,3-dimethyl-2-(piperidin-1-ylcarbamoylamino)butanoic acid?
The canonical SMILES for 3,3-dimethyl-2-(piperidin-1-ylcarbamoylamino)butanoic acid is CC(C)(C)C(NC(=O)NN1CCCCC1)C(=O)O.
What is the InChIKey of 3,3-dimethyl-2-(piperidin-1-ylcarbamoylamino)butanoic acid?
The InChIKey is SNBWSULGORLCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-12(2,3)9(10(16)17)13-11(18)14-15-7-5-4-6-8-15/h9H,4-8H2,1-3H3,(H,16,17)(H2,13,14,18).
What are the key properties of 3,3-dimethyl-2-(piperidin-1-ylcarbamoylamino)butanoic acid?
3,3-dimethyl-2-(piperidin-1-ylcarbamoylamino)butanoic acid has a molecular weight of 257.33 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(piperidin-1-ylcarbamoylamino)butanoic acid is sourced from PubChem (CID 83019497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).