3-(tert-butylcarbamoyl)pentanoic acid

C10H19NO3 — CID 83559714

IUPAC3-(tert-butylcarbamoyl)pentanoic acid
SMILESCCC(CC(=O)O)C(=O)NC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-5-7(6-8(12)13)9(14)11-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)
InChIKeyFRWSQVXULFYPBS-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.40
Rot. Bonds4

About 3-(tert-butylcarbamoyl)pentanoic acid

3-(tert-butylcarbamoyl)pentanoic acid (PubChem CID 83559714) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(tert-butylcarbamoyl)pentanoic acid.

Molecular Properties

Compound Name3-(tert-butylcarbamoyl)pentanoic acid
PubChem CID83559714
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-(tert-butylcarbamoyl)pentanoic acid
SMILESCCC(CC(=O)O)C(=O)NC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-5-7(6-8(12)13)9(14)11-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)
InChIKeyFRWSQVXULFYPBS-UHFFFAOYSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylcarbamoyl)pentanoic acid?
The IUPAC name of 3-(tert-butylcarbamoyl)pentanoic acid (CID 83559714) is 3-(tert-butylcarbamoyl)pentanoic acid.
What is the SMILES notation for 3-(tert-butylcarbamoyl)pentanoic acid?
The canonical SMILES for 3-(tert-butylcarbamoyl)pentanoic acid is CCC(CC(=O)O)C(=O)NC(C)(C)C.
What is the InChIKey of 3-(tert-butylcarbamoyl)pentanoic acid?
The InChIKey is FRWSQVXULFYPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-7(6-8(12)13)9(14)11-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13).
What are the key properties of 3-(tert-butylcarbamoyl)pentanoic acid?
3-(tert-butylcarbamoyl)pentanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylcarbamoyl)pentanoic acid is sourced from PubChem (CID 83559714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).