3-[[ethyl(propyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid

C13H26N2O3 — CID 65266331

IUPAC3-[[ethyl(propyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
SMILESCCCN(CC)C(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-7-9-15(8-2)11(18)14-13(5,6)12(3,4)10(16)17/h7-9H2,1-6H3,(H,14,18)(H,16,17)
InChIKeyHPOIUKQHTTWQGB-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.32
Rot. Bonds6

About 3-[[ethyl(propyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid

3-[[ethyl(propyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid (PubChem CID 65266331) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-[[ethyl(propyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-[[ethyl(propyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
PubChem CID65266331
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name3-[[ethyl(propyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
SMILESCCCN(CC)C(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-7-9-15(8-2)11(18)14-13(5,6)12(3,4)10(16)17/h7-9H2,1-6H3,(H,14,18)(H,16,17)
InChIKeyHPOIUKQHTTWQGB-UHFFFAOYSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(diethylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65265975
3-(dibutylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65266173
2-cyclopropyl-2-[[ethyl(propyl)carbamoyl]amino]propanoic acid
CID 61195647
4-[[ethyl(propyl)carbamoyl]amino]-4-methylpentanoic acid
CID 62048521
3-[[butan-2-yl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266474
2,2,3-trimethyl-3-[[methyl(2-methylbutyl)carbamoyl]amino]butanoic acid
CID 65265849
3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266487
3-amino-1-ethyl-1-propylurea
CID 43269070
2-[[ethyl(propyl)carbamoyl]amino]acetic acid
CID 43445697
3-[2-(diethylamino)ethylcarbamoylamino]-2,2,3-trimethylbutanoic acid
CID 65265934
3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2,2,3-trimethylbutanoic acid
CID 65265678
2-[[cyclopropylmethyl(propyl)carbamoyl]amino]-2-methylpropanoic acid
CID 61443321

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(propyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-[[ethyl(propyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid (CID 65266331) is 3-[[ethyl(propyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-[[ethyl(propyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-[[ethyl(propyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid is CCCN(CC)C(=O)NC(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 3-[[ethyl(propyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid?
The InChIKey is HPOIUKQHTTWQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-7-9-15(8-2)11(18)14-13(5,6)12(3,4)10(16)17/h7-9H2,1-6H3,(H,14,18)(H,16,17).
What are the key properties of 3-[[ethyl(propyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid?
3-[[ethyl(propyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid has a molecular weight of 258.36 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(propyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65266331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).