2,2,3-trimethyl-3-[1-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid

C14H26N2O4 — CID 65265903

IUPAC2,2,3-trimethyl-3-[1-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid
SMILESCC(NC(=O)NC(C)(C)C(C)(C)C(=O)O)C1CCCO1
InChIInChI=1S/C14H26N2O4/c1-9(10-7-6-8-20-10)15-12(19)16-14(4,5)13(2,3)11(17)18/h9-10H,6-8H2,1-5H3,(H,17,18)(H2,15,16,19)
InChIKeyVSOFELZVZOFMAG-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.74
Rot. Bonds5

About 2,2,3-trimethyl-3-[1-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid

2,2,3-trimethyl-3-[1-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid (PubChem CID 65265903) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-[1-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-[1-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid
PubChem CID65265903
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2,2,3-trimethyl-3-[1-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid
SMILESCC(NC(=O)NC(C)(C)C(C)(C)C(=O)O)C1CCCO1
InChIInChI=1S/C14H26N2O4/c1-9(10-7-6-8-20-10)15-12(19)16-14(4,5)13(2,3)11(17)18/h9-10H,6-8H2,1-5H3,(H,17,18)(H2,15,16,19)
InChIKeyVSOFELZVZOFMAG-UHFFFAOYSA-N
XLogP1.74
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[1-(oxolan-2-yl)ethylcarbamoylamino]propanoic acid
CID 61198697
2,2-dimethyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 29038214
2-hydroxy-2-methyl-N-[1-(oxolan-2-yl)ethyl]propanamide
CID 104936605
2,2-diethyl-4-oxo-4-[1-(oxolan-2-yl)ethylamino]butanoic acid
CID 43533852
1-cyclohexyl-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 27450560
4-[1-(oxolan-2-yl)ethylcarbamoylamino]benzoic acid
CID 61198516
1-(1-adamantyl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 7126735
N-[1-(oxolan-2-yl)ethyl]cyclopropanecarboxamide
CID 17330465
1-[2-(1,3-benzodioxol-5-yl)propan-2-yl]-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 95733945
(1S,2S,3R,4R)-3-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 11895759
2-[[2-[1-(oxolan-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid
CID 61198700
(E)-4-oxo-4-[1-(oxolan-2-yl)ethylamino]but-2-enoic acid
CID 43533859

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-[1-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-[1-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid (CID 65265903) is 2,2,3-trimethyl-3-[1-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-[1-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-[1-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid is CC(NC(=O)NC(C)(C)C(C)(C)C(=O)O)C1CCCO1.
What is the InChIKey of 2,2,3-trimethyl-3-[1-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid?
The InChIKey is VSOFELZVZOFMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-9(10-7-6-8-20-10)15-12(19)16-14(4,5)13(2,3)11(17)18/h9-10H,6-8H2,1-5H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2,2,3-trimethyl-3-[1-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid?
2,2,3-trimethyl-3-[1-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-[1-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid is sourced from PubChem (CID 65265903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).