2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3,3-dimethylbutanoic acid

C12H21NO3 — CID 106703269

IUPAC2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(NC(=O)C1CC1(C)C)C(=O)O
InChIInChI=1S/C12H21NO3/c1-11(2,3)8(10(15)16)13-9(14)7-6-12(7,4)5/h7-8H,6H2,1-5H3,(H,13,14)(H,15,16)
InChIKeyXXWVPINGEIOPLR-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.65
Rot. Bonds3

About 2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3,3-dimethylbutanoic acid

2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3,3-dimethylbutanoic acid (PubChem CID 106703269) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3,3-dimethylbutanoic acid
PubChem CID106703269
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(NC(=O)C1CC1(C)C)C(=O)O
InChIInChI=1S/C12H21NO3/c1-11(2,3)8(10(15)16)13-9(14)7-6-12(7,4)5/h7-8H,6H2,1-5H3,(H,13,14)(H,15,16)
InChIKeyXXWVPINGEIOPLR-UHFFFAOYSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3,3-dimethylbutanoic acid?
The IUPAC name of 2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3,3-dimethylbutanoic acid (CID 106703269) is 2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3,3-dimethylbutanoic acid is CC(C)(C)C(NC(=O)C1CC1(C)C)C(=O)O.
What is the InChIKey of 2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3,3-dimethylbutanoic acid?
The InChIKey is XXWVPINGEIOPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-11(2,3)8(10(15)16)13-9(14)7-6-12(7,4)5/h7-8H,6H2,1-5H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3,3-dimethylbutanoic acid?
2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3,3-dimethylbutanoic acid has a molecular weight of 227.30 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 106703269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).