3-(N-(3-aminooxolane-3-carbonyl)-4-methylanilino)propanoic acid

C15H20N2O4 — CID 64891774

IUPAC3-(N-(3-aminooxolane-3-carbonyl)-4-methylanilino)propanoic acid
SMILESCc1ccc(N(CCC(=O)O)C(=O)C2(N)CCOC2)cc1
InChIInChI=1S/C15H20N2O4/c1-11-2-4-12(5-3-11)17(8-6-13(18)19)14(20)15(16)7-9-21-10-15/h2-5H,6-10,16H2,1H3,(H,18,19)
InChIKeyUQEDQAZIPQQEKZ-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.92
Rot. Bonds5

About 3-(N-(3-aminooxolane-3-carbonyl)-4-methylanilino)propanoic acid

3-(N-(3-aminooxolane-3-carbonyl)-4-methylanilino)propanoic acid (PubChem CID 64891774) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-(N-(3-aminooxolane-3-carbonyl)-4-methylanilino)propanoic acid.

Molecular Properties

Compound Name3-(N-(3-aminooxolane-3-carbonyl)-4-methylanilino)propanoic acid
PubChem CID64891774
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name3-(N-(3-aminooxolane-3-carbonyl)-4-methylanilino)propanoic acid
SMILESCc1ccc(N(CCC(=O)O)C(=O)C2(N)CCOC2)cc1
InChIInChI=1S/C15H20N2O4/c1-11-2-4-12(5-3-11)17(8-6-13(18)19)14(20)15(16)7-9-21-10-15/h2-5H,6-10,16H2,1H3,(H,18,19)
InChIKeyUQEDQAZIPQQEKZ-UHFFFAOYSA-N
XLogP0.92
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(N-(3-aminooxolane-3-carbonyl)-4-methylanilino)propanoic acid?
The IUPAC name of 3-(N-(3-aminooxolane-3-carbonyl)-4-methylanilino)propanoic acid (CID 64891774) is 3-(N-(3-aminooxolane-3-carbonyl)-4-methylanilino)propanoic acid.
What is the SMILES notation for 3-(N-(3-aminooxolane-3-carbonyl)-4-methylanilino)propanoic acid?
The canonical SMILES for 3-(N-(3-aminooxolane-3-carbonyl)-4-methylanilino)propanoic acid is Cc1ccc(N(CCC(=O)O)C(=O)C2(N)CCOC2)cc1.
What is the InChIKey of 3-(N-(3-aminooxolane-3-carbonyl)-4-methylanilino)propanoic acid?
The InChIKey is UQEDQAZIPQQEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-11-2-4-12(5-3-11)17(8-6-13(18)19)14(20)15(16)7-9-21-10-15/h2-5H,6-10,16H2,1H3,(H,18,19).
What are the key properties of 3-(N-(3-aminooxolane-3-carbonyl)-4-methylanilino)propanoic acid?
3-(N-(3-aminooxolane-3-carbonyl)-4-methylanilino)propanoic acid has a molecular weight of 292.34 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-(3-aminooxolane-3-carbonyl)-4-methylanilino)propanoic acid is sourced from PubChem (CID 64891774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).