4-[methyl(2-methylbutan-2-yloxycarbonyl)amino]butanoic acid

C11H21NO4 — CID 143613180

IUPAC4-[methyl(2-methylbutan-2-yloxycarbonyl)amino]butanoic acid
SMILESCCC(C)(C)OC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C11H21NO4/c1-5-11(2,3)16-10(15)12(4)8-6-7-9(13)14/h5-8H2,1-4H3,(H,13,14)
InChIKeyDOGFTFLIJMRGLS-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.11
Rot. Bonds6

About 4-[methyl(2-methylbutan-2-yloxycarbonyl)amino]butanoic acid

4-[methyl(2-methylbutan-2-yloxycarbonyl)amino]butanoic acid (PubChem CID 143613180) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 4-[methyl(2-methylbutan-2-yloxycarbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl(2-methylbutan-2-yloxycarbonyl)amino]butanoic acid
PubChem CID143613180
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name4-[methyl(2-methylbutan-2-yloxycarbonyl)amino]butanoic acid
SMILESCCC(C)(C)OC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C11H21NO4/c1-5-11(2,3)16-10(15)12(4)8-6-7-9(13)14/h5-8H2,1-4H3,(H,13,14)
InChIKeyDOGFTFLIJMRGLS-UHFFFAOYSA-N
XLogP2.11
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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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Related Compounds

2-methylbutan-2-yl N-methyl-N-(2-methylbutan-2-yloxycarbonyl)carbamate
CID 67185287
tert-butyl N-[4-(dimethylamino)-4-oxobutyl]-N-methylcarbamate
CID 19757668
butanoyl 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 166720638
4-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylamino]-4-oxobutanoic acid
CID 86615121
4-[methyl(2,2,3-trimethylbutylcarbamoyl)amino]butanoic acid
CID 114101324
3-[2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]propanoic acid
CID 170906120
4-[[2-(2,2-dimethylpropanoylamino)acetyl]-methylamino]butanoic acid
CID 43172456
tert-butyl N-methyl-N-(5-methyl-4-oxohex-5-enyl)carbamate
CID 167204314
tert-butyl N-methyl-N-(3-trimethylsilylpropyl)carbamate
CID 159187536
tert-butyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 163409952
4-[hydroxy(methyl)amino]butanoic acid
CID 130868262
4-[[(E)-4,4-dimethylpent-2-enoyl]-methylamino]butanoic acid
CID 115729886

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2-methylbutan-2-yloxycarbonyl)amino]butanoic acid?
The IUPAC name of 4-[methyl(2-methylbutan-2-yloxycarbonyl)amino]butanoic acid (CID 143613180) is 4-[methyl(2-methylbutan-2-yloxycarbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl(2-methylbutan-2-yloxycarbonyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl(2-methylbutan-2-yloxycarbonyl)amino]butanoic acid is CCC(C)(C)OC(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[methyl(2-methylbutan-2-yloxycarbonyl)amino]butanoic acid?
The InChIKey is DOGFTFLIJMRGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-5-11(2,3)16-10(15)12(4)8-6-7-9(13)14/h5-8H2,1-4H3,(H,13,14).
What are the key properties of 4-[methyl(2-methylbutan-2-yloxycarbonyl)amino]butanoic acid?
4-[methyl(2-methylbutan-2-yloxycarbonyl)amino]butanoic acid has a molecular weight of 231.29 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-methylbutan-2-yloxycarbonyl)amino]butanoic acid is sourced from PubChem (CID 143613180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).