3-(dibutylcarbamoylamino)-2,2,3-trimethylbutanoic acid

C16H32N2O3 — CID 65266173

IUPAC3-(dibutylcarbamoylamino)-2,2,3-trimethylbutanoic acid
SMILESCCCCN(CCCC)C(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C16H32N2O3/c1-7-9-11-18(12-10-8-2)14(21)17-16(5,6)15(3,4)13(19)20/h7-12H2,1-6H3,(H,17,21)(H,19,20)
InChIKeyMTTDGBWMKUBYHT-UHFFFAOYSA-N
MW300.44 g/mol
LogP3.49
Rot. Bonds9

About 3-(dibutylcarbamoylamino)-2,2,3-trimethylbutanoic acid

3-(dibutylcarbamoylamino)-2,2,3-trimethylbutanoic acid (PubChem CID 65266173) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is 3-(dibutylcarbamoylamino)-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-(dibutylcarbamoylamino)-2,2,3-trimethylbutanoic acid
PubChem CID65266173
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Name3-(dibutylcarbamoylamino)-2,2,3-trimethylbutanoic acid
SMILESCCCCN(CCCC)C(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C16H32N2O3/c1-7-9-11-18(12-10-8-2)14(21)17-16(5,6)15(3,4)13(19)20/h7-12H2,1-6H3,(H,17,21)(H,19,20)
InChIKeyMTTDGBWMKUBYHT-UHFFFAOYSA-N
XLogP3.49
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[ethyl(propyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266331
1,1-dibutyl-3-tert-butylurea
CID 11413547
2-(dibutylcarbamoylamino)-2-methylbutanoic acid
CID 79798187
2-[[butyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpentanoic acid
CID 61447381
3-(dibutylcarbamoylamino)-2,2-dimethylpropanoic acid
CID 115428326
3-[[butan-2-yl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266474
3-(hexylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65265326
3-[(2-butylsulfanylacetyl)amino]-2,2,3-trimethylbutanoic acid
CID 65261294
CID 177477585
CID 177477585
3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65265679
3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266487
2,2,3-trimethyl-3-(octan-4-ylcarbamoylamino)butanoic acid
CID 106020545

Frequently Asked Questions

What is the IUPAC name of 3-(dibutylcarbamoylamino)-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-(dibutylcarbamoylamino)-2,2,3-trimethylbutanoic acid (CID 65266173) is 3-(dibutylcarbamoylamino)-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-(dibutylcarbamoylamino)-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-(dibutylcarbamoylamino)-2,2,3-trimethylbutanoic acid is CCCCN(CCCC)C(=O)NC(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 3-(dibutylcarbamoylamino)-2,2,3-trimethylbutanoic acid?
The InChIKey is MTTDGBWMKUBYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-7-9-11-18(12-10-8-2)14(21)17-16(5,6)15(3,4)13(19)20/h7-12H2,1-6H3,(H,17,21)(H,19,20).
What are the key properties of 3-(dibutylcarbamoylamino)-2,2,3-trimethylbutanoic acid?
3-(dibutylcarbamoylamino)-2,2,3-trimethylbutanoic acid has a molecular weight of 300.44 g/mol, XLogP of 3.49, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibutylcarbamoylamino)-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65266173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).