3-(cyclopropanecarbonylamino)-2,2,3-trimethylbutanoic acid

C11H19NO3 — CID 65261547

IUPAC3-(cyclopropanecarbonylamino)-2,2,3-trimethylbutanoic acid
SMILESCC(C)(NC(=O)C1CC1)C(C)(C)C(=O)O
InChIInChI=1S/C11H19NO3/c1-10(2,9(14)15)11(3,4)12-8(13)7-5-6-7/h7H,5-6H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyKOCWDNCHYJIWRZ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.40
Rot. Bonds4

About 3-(cyclopropanecarbonylamino)-2,2,3-trimethylbutanoic acid

3-(cyclopropanecarbonylamino)-2,2,3-trimethylbutanoic acid (PubChem CID 65261547) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-2,2,3-trimethylbutanoic acid
PubChem CID65261547
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-(cyclopropanecarbonylamino)-2,2,3-trimethylbutanoic acid
SMILESCC(C)(NC(=O)C1CC1)C(C)(C)C(=O)O
InChIInChI=1S/C11H19NO3/c1-10(2,9(14)15)11(3,4)12-8(13)7-5-6-7/h7H,5-6H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyKOCWDNCHYJIWRZ-UHFFFAOYSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
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-(cyclopropanecarbonylamino)-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-(cyclopropanecarbonylamino)-2,2,3-trimethylbutanoic acid (CID 65261547) is 3-(cyclopropanecarbonylamino)-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-2,2,3-trimethylbutanoic acid is CC(C)(NC(=O)C1CC1)C(C)(C)C(=O)O.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-2,2,3-trimethylbutanoic acid?
The InChIKey is KOCWDNCHYJIWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-10(2,9(14)15)11(3,4)12-8(13)7-5-6-7/h7H,5-6H2,1-4H3,(H,12,13)(H,14,15).
What are the key properties of 3-(cyclopropanecarbonylamino)-2,2,3-trimethylbutanoic acid?
3-(cyclopropanecarbonylamino)-2,2,3-trimethylbutanoic acid has a molecular weight of 213.28 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-(cyclopropanecarbonylamino)-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65261547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).