3-[(1-aminocyclopropanecarbonyl)amino]-2,2,3-trimethylbutanoic acid

C11H20N2O3 — CID 65456793

IUPAC3-[(1-aminocyclopropanecarbonyl)amino]-2,2,3-trimethylbutanoic acid
SMILESCC(C)(NC(=O)C1(N)CC1)C(C)(C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-9(2,8(15)16)10(3,4)13-7(14)11(12)5-6-11/h5-6,12H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyYLTVEPITBWZKFA-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.48
Rot. Bonds4

About 3-[(1-aminocyclopropanecarbonyl)amino]-2,2,3-trimethylbutanoic acid

3-[(1-aminocyclopropanecarbonyl)amino]-2,2,3-trimethylbutanoic acid (PubChem CID 65456793) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[(1-aminocyclopropanecarbonyl)amino]-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-[(1-aminocyclopropanecarbonyl)amino]-2,2,3-trimethylbutanoic acid
PubChem CID65456793
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[(1-aminocyclopropanecarbonyl)amino]-2,2,3-trimethylbutanoic acid
SMILESCC(C)(NC(=O)C1(N)CC1)C(C)(C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-9(2,8(15)16)10(3,4)13-7(14)11(12)5-6-11/h5-6,12H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyYLTVEPITBWZKFA-UHFFFAOYSA-N
XLogP0.48
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-aminocyclopropanecarbonyl)amino]-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-[(1-aminocyclopropanecarbonyl)amino]-2,2,3-trimethylbutanoic acid (CID 65456793) is 3-[(1-aminocyclopropanecarbonyl)amino]-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-[(1-aminocyclopropanecarbonyl)amino]-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-[(1-aminocyclopropanecarbonyl)amino]-2,2,3-trimethylbutanoic acid is CC(C)(NC(=O)C1(N)CC1)C(C)(C)C(=O)O.
What is the InChIKey of 3-[(1-aminocyclopropanecarbonyl)amino]-2,2,3-trimethylbutanoic acid?
The InChIKey is YLTVEPITBWZKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-9(2,8(15)16)10(3,4)13-7(14)11(12)5-6-11/h5-6,12H2,1-4H3,(H,13,14)(H,15,16).
What are the key properties of 3-[(1-aminocyclopropanecarbonyl)amino]-2,2,3-trimethylbutanoic acid?
3-[(1-aminocyclopropanecarbonyl)amino]-2,2,3-trimethylbutanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-aminocyclopropanecarbonyl)amino]-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65456793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).