2,2,3-trimethyl-3-[(2-methylcyclopropanecarbonyl)amino]butanoic acid

C12H21NO3 — CID 65261737

IUPAC2,2,3-trimethyl-3-[(2-methylcyclopropanecarbonyl)amino]butanoic acid
SMILESCC1CC1C(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C12H21NO3/c1-7-6-8(7)9(14)13-12(4,5)11(2,3)10(15)16/h7-8H,6H2,1-5H3,(H,13,14)(H,15,16)
InChIKeyLFBPYQQWKUKPCS-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.65
Rot. Bonds4

About 2,2,3-trimethyl-3-[(2-methylcyclopropanecarbonyl)amino]butanoic acid

2,2,3-trimethyl-3-[(2-methylcyclopropanecarbonyl)amino]butanoic acid (PubChem CID 65261737) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-[(2-methylcyclopropanecarbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-[(2-methylcyclopropanecarbonyl)amino]butanoic acid
PubChem CID65261737
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2,2,3-trimethyl-3-[(2-methylcyclopropanecarbonyl)amino]butanoic acid
SMILESCC1CC1C(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C12H21NO3/c1-7-6-8(7)9(14)13-12(4,5)11(2,3)10(15)16/h7-8H,6H2,1-5H3,(H,13,14)(H,15,16)
InChIKeyLFBPYQQWKUKPCS-UHFFFAOYSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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 2,2,3-trimethyl-3-[(2-methylcyclopropanecarbonyl)amino]butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-[(2-methylcyclopropanecarbonyl)amino]butanoic acid (CID 65261737) is 2,2,3-trimethyl-3-[(2-methylcyclopropanecarbonyl)amino]butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-[(2-methylcyclopropanecarbonyl)amino]butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-[(2-methylcyclopropanecarbonyl)amino]butanoic acid is CC1CC1C(=O)NC(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-[(2-methylcyclopropanecarbonyl)amino]butanoic acid?
The InChIKey is LFBPYQQWKUKPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-7-6-8(7)9(14)13-12(4,5)11(2,3)10(15)16/h7-8H,6H2,1-5H3,(H,13,14)(H,15,16).
What are the key properties of 2,2,3-trimethyl-3-[(2-methylcyclopropanecarbonyl)amino]butanoic acid?
2,2,3-trimethyl-3-[(2-methylcyclopropanecarbonyl)amino]butanoic acid has a molecular weight of 227.30 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-[(2-methylcyclopropanecarbonyl)amino]butanoic acid is sourced from PubChem (CID 65261737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).