4-[(2-amino-2-ethylbutanoyl)-methylamino]oxolane-3-carboxylic acid

C12H22N2O4 — CID 79814802

IUPAC4-[(2-amino-2-ethylbutanoyl)-methylamino]oxolane-3-carboxylic acid
SMILESCCC(N)(CC)C(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C12H22N2O4/c1-4-12(13,5-2)11(17)14(3)9-7-18-6-8(9)10(15)16/h8-9H,4-7,13H2,1-3H3,(H,15,16)
InChIKeyMVUSFJQJBZVPSO-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.06
Rot. Bonds5

About 4-[(2-amino-2-ethylbutanoyl)-methylamino]oxolane-3-carboxylic acid

4-[(2-amino-2-ethylbutanoyl)-methylamino]oxolane-3-carboxylic acid (PubChem CID 79814802) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[(2-amino-2-ethylbutanoyl)-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-amino-2-ethylbutanoyl)-methylamino]oxolane-3-carboxylic acid
PubChem CID79814802
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name4-[(2-amino-2-ethylbutanoyl)-methylamino]oxolane-3-carboxylic acid
SMILESCCC(N)(CC)C(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C12H22N2O4/c1-4-12(13,5-2)11(17)14(3)9-7-18-6-8(9)10(15)16/h8-9H,4-7,13H2,1-3H3,(H,15,16)
InChIKeyMVUSFJQJBZVPSO-UHFFFAOYSA-N
XLogP0.06
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(aminomethyl)-2-ethylbutanoyl]-methylamino]oxolane-3-carboxylic acid
CID 115432637
4-[[(2R)-2-aminopentanoyl]-methylamino]oxolane-3-carboxylic acid
CID 107570009
2-amino-2-ethyl-N-methyl-N-(2-methylcyclohexyl)butanamide
CID 79814559
4-[hexanoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66236749
4-[(3-amino-2-methoxypropanoyl)-methylamino]oxolane-3-carboxylic acid
CID 114145124
4-[methyl-(2-methylcyclopropanecarbonyl)amino]oxolane-3-carboxylic acid
CID 66236548
4-[2,2-dimethylpropylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266712
4-[[2-[1-(aminomethyl)cyclobutyl]acetyl]-methylamino]oxolane-3-carboxylic acid
CID 81168934
2-amino-2-ethyl-N-methyl-N-(oxan-4-yl)butanamide
CID 79810217
4-[[2-(dimethylamino)ethyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 66267321
4-[3-(ethylamino)propanoyl-methylamino]oxolane-3-carboxylic acid
CID 66235417
4-[2-(carbamoylamino)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 83113561

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-2-ethylbutanoyl)-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(2-amino-2-ethylbutanoyl)-methylamino]oxolane-3-carboxylic acid (CID 79814802) is 4-[(2-amino-2-ethylbutanoyl)-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2-amino-2-ethylbutanoyl)-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2-amino-2-ethylbutanoyl)-methylamino]oxolane-3-carboxylic acid is CCC(N)(CC)C(=O)N(C)C1COCC1C(=O)O.
What is the InChIKey of 4-[(2-amino-2-ethylbutanoyl)-methylamino]oxolane-3-carboxylic acid?
The InChIKey is MVUSFJQJBZVPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-4-12(13,5-2)11(17)14(3)9-7-18-6-8(9)10(15)16/h8-9H,4-7,13H2,1-3H3,(H,15,16).
What are the key properties of 4-[(2-amino-2-ethylbutanoyl)-methylamino]oxolane-3-carboxylic acid?
4-[(2-amino-2-ethylbutanoyl)-methylamino]oxolane-3-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-2-ethylbutanoyl)-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 79814802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).