3-(cyclobutanecarbonylamino)-3-methylbutanoic acid

C10H17NO3 — CID 64670862

IUPAC3-(cyclobutanecarbonylamino)-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)C1CCC1
InChIInChI=1S/C10H17NO3/c1-10(2,6-8(12)13)11-9(14)7-4-3-5-7/h7H,3-6H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyISZCLMYIGZRYJD-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.16
Rot. Bonds4

About 3-(cyclobutanecarbonylamino)-3-methylbutanoic acid

3-(cyclobutanecarbonylamino)-3-methylbutanoic acid (PubChem CID 64670862) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-(cyclobutanecarbonylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name3-(cyclobutanecarbonylamino)-3-methylbutanoic acid
PubChem CID64670862
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name3-(cyclobutanecarbonylamino)-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)C1CCC1
InChIInChI=1S/C10H17NO3/c1-10(2,6-8(12)13)11-9(14)7-4-3-5-7/h7H,3-6H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyISZCLMYIGZRYJD-UHFFFAOYSA-N
XLogP1.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutanecarbonylamino)-3-methylbutanoic acid?
The IUPAC name of 3-(cyclobutanecarbonylamino)-3-methylbutanoic acid (CID 64670862) is 3-(cyclobutanecarbonylamino)-3-methylbutanoic acid.
What is the SMILES notation for 3-(cyclobutanecarbonylamino)-3-methylbutanoic acid?
The canonical SMILES for 3-(cyclobutanecarbonylamino)-3-methylbutanoic acid is CC(C)(CC(=O)O)NC(=O)C1CCC1.
What is the InChIKey of 3-(cyclobutanecarbonylamino)-3-methylbutanoic acid?
The InChIKey is ISZCLMYIGZRYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-10(2,6-8(12)13)11-9(14)7-4-3-5-7/h7H,3-6H2,1-2H3,(H,11,14)(H,12,13).
What are the key properties of 3-(cyclobutanecarbonylamino)-3-methylbutanoic acid?
3-(cyclobutanecarbonylamino)-3-methylbutanoic acid has a molecular weight of 199.25 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutanecarbonylamino)-3-methylbutanoic acid is sourced from PubChem (CID 64670862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).