3-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid

C11H21NO4 — CID 18739780

IUPAC3-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
SMILESCN(C(=O)OC(C)(C)C)C(C)(C)CC(=O)O
InChIInChI=1S/C11H21NO4/c1-10(2,3)16-9(15)12(6)11(4,5)7-8(13)14/h7H2,1-6H3,(H,13,14)
InChIKeyGTGNCMYDMIDOIR-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.11
Rot. Bonds3

About 3-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid

3-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid (PubChem CID 18739780) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 3-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
PubChem CID18739780
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name3-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
SMILESCN(C(=O)OC(C)(C)C)C(C)(C)CC(=O)O
InChIInChI=1S/C11H21NO4/c1-10(2,3)16-9(15)12(6)11(4,5)7-8(13)14/h7H2,1-6H3,(H,13,14)
InChIKeyGTGNCMYDMIDOIR-UHFFFAOYSA-N
XLogP2.11
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid?
The IUPAC name of 3-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid (CID 18739780) is 3-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid.
What is the SMILES notation for 3-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid?
The canonical SMILES for 3-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid is CN(C(=O)OC(C)(C)C)C(C)(C)CC(=O)O.
What is the InChIKey of 3-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid?
The InChIKey is GTGNCMYDMIDOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-10(2,3)16-9(15)12(6)11(4,5)7-8(13)14/h7H2,1-6H3,(H,13,14).
What are the key properties of 3-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid?
3-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid has a molecular weight of 231.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid is sourced from PubChem (CID 18739780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).