2-[(3-aminooxolane-3-carbonyl)amino]-2-ethylbutanoic acid

C11H20N2O4 — CID 79804531

IUPAC2-[(3-aminooxolane-3-carbonyl)amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)C1(N)CCOC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-3-11(4-2,9(15)16)13-8(14)10(12)5-6-17-7-10/h3-7,12H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyFBKQCOVKGUCLAS-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.14
Rot. Bonds5

About 2-[(3-aminooxolane-3-carbonyl)amino]-2-ethylbutanoic acid

2-[(3-aminooxolane-3-carbonyl)amino]-2-ethylbutanoic acid (PubChem CID 79804531) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[(3-aminooxolane-3-carbonyl)amino]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[(3-aminooxolane-3-carbonyl)amino]-2-ethylbutanoic acid
PubChem CID79804531
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[(3-aminooxolane-3-carbonyl)amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)C1(N)CCOC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-3-11(4-2,9(15)16)13-8(14)10(12)5-6-17-7-10/h3-7,12H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyFBKQCOVKGUCLAS-UHFFFAOYSA-N
XLogP-0.14
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(3-aminooxolane-3-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 115430426
3-[(3-aminooxolane-3-carbonyl)amino]butanoic acid
CID 64894006
3-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]oxolane-3-carboxamide
CID 114756831
3-amino-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-3-carboxamide
CID 106298704
3-amino-N-(3-methylbutyl)oxolane-3-carboxamide
CID 64892075
1-(3-aminooxolan-3-yl)ethanone
CID 59621130
3-amino-N-but-3-yn-2-yloxolane-3-carboxamide
CID 114417231
3-amino-N-[3-(methylamino)-3-oxopropyl]oxolane-3-carboxamide
CID 64891010
methyl 3-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxypropanoate
CID 107222740
1-(3-aminooxolan-3-yl)-2,2-dimethylpropan-1-one
CID 116579625
3-amino-N-[2-(4-methylcyclohexyl)ethyl]oxolane-3-carboxamide
CID 64891038
3-amino-N-(4,4,4-trifluorobutyl)oxolane-3-carboxamide
CID 115519322

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminooxolane-3-carbonyl)amino]-2-ethylbutanoic acid?
The IUPAC name of 2-[(3-aminooxolane-3-carbonyl)amino]-2-ethylbutanoic acid (CID 79804531) is 2-[(3-aminooxolane-3-carbonyl)amino]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[(3-aminooxolane-3-carbonyl)amino]-2-ethylbutanoic acid?
The canonical SMILES for 2-[(3-aminooxolane-3-carbonyl)amino]-2-ethylbutanoic acid is CCC(CC)(NC(=O)C1(N)CCOC1)C(=O)O.
What is the InChIKey of 2-[(3-aminooxolane-3-carbonyl)amino]-2-ethylbutanoic acid?
The InChIKey is FBKQCOVKGUCLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-3-11(4-2,9(15)16)13-8(14)10(12)5-6-17-7-10/h3-7,12H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(3-aminooxolane-3-carbonyl)amino]-2-ethylbutanoic acid?
2-[(3-aminooxolane-3-carbonyl)amino]-2-ethylbutanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminooxolane-3-carbonyl)amino]-2-ethylbutanoic acid is sourced from PubChem (CID 79804531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).