4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-3-methyloxolane-3-carboxylic acid

C10H15F3N2O4 — CID 79810710

IUPAC4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C10H15F3N2O4/c1-8(7(17)18)4-19-3-5(8)15-6(16)9(2,14)10(11,12)13/h5H,3-4,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyBRWVYCWKBBOESP-UHFFFAOYSA-N
MW284.23 g/mol
LogP-0.13
Rot. Bonds3

About 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-3-methyloxolane-3-carboxylic acid

4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-3-methyloxolane-3-carboxylic acid (PubChem CID 79810710) has the molecular formula C10H15F3N2O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-3-methyloxolane-3-carboxylic acid
PubChem CID79810710
Molecular FormulaC10H15F3N2O4
Molecular Weight284.23 g/mol
Exact Mass284.10
IUPAC Name4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C10H15F3N2O4/c1-8(7(17)18)4-19-3-5(8)15-6(16)9(2,14)10(11,12)13/h5H,3-4,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyBRWVYCWKBBOESP-UHFFFAOYSA-N
XLogP-0.13
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetamido-3-methyloxolane-3-carboxylic acid
CID 66256805
3-methyl-4-(3,3,3-trifluoropropylcarbamoylamino)oxolane-3-carboxylic acid
CID 66249979
4-(cyclopropanecarbonylamino)-3-methyloxolane-3-carboxylic acid
CID 66255483
3-methyl-4-(3-methylpentan-3-ylcarbamoylamino)oxolane-3-carboxylic acid
CID 114174525
4-(butanoylamino)-3-methyloxolane-3-carboxylic acid
CID 66255086
4-[(4-aminooxolane-3-carbonyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66249530
4-(2-aminoethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid
CID 66248978
4-[(3-amino-2-methylpropanoyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66249531
4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid
CID 107482045
4-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methyloxolane-3-carboxylic acid
CID 66250933
4-[[(2R)-2-amino-4-methylpentanoyl]amino]-3-methyloxolane-3-carboxylic acid
CID 104903670
4-[(2,4-diamino-4-oxobutanoyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66248351

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-3-methyloxolane-3-carboxylic acid (CID 79810710) is 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-3-methyloxolane-3-carboxylic acid is CC1(C(=O)O)COCC1NC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-3-methyloxolane-3-carboxylic acid?
The InChIKey is BRWVYCWKBBOESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O4/c1-8(7(17)18)4-19-3-5(8)15-6(16)9(2,14)10(11,12)13/h5H,3-4,14H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-3-methyloxolane-3-carboxylic acid?
4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-3-methyloxolane-3-carboxylic acid has a molecular weight of 284.23 g/mol, XLogP of -0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 79810710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).