2-[3-[(4-aminooxolane-3-carbonyl)amino]phenyl]acetic acid

C13H16N2O4 — CID 66237312

IUPAC2-[3-[(4-aminooxolane-3-carbonyl)amino]phenyl]acetic acid
SMILESNC1COCC1C(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C13H16N2O4/c14-11-7-19-6-10(11)13(18)15-9-3-1-2-8(4-9)5-12(16)17/h1-4,10-11H,5-7,14H2,(H,15,18)(H,16,17)
InChIKeyNLIKQNIWBWSKAX-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.23
Rot. Bonds4

About 2-[3-[(4-aminooxolane-3-carbonyl)amino]phenyl]acetic acid

2-[3-[(4-aminooxolane-3-carbonyl)amino]phenyl]acetic acid (PubChem CID 66237312) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[3-[(4-aminooxolane-3-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(4-aminooxolane-3-carbonyl)amino]phenyl]acetic acid
PubChem CID66237312
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-[3-[(4-aminooxolane-3-carbonyl)amino]phenyl]acetic acid
SMILESNC1COCC1C(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C13H16N2O4/c14-11-7-19-6-10(11)13(18)15-9-3-1-2-8(4-9)5-12(16)17/h1-4,10-11H,5-7,14H2,(H,15,18)(H,16,17)
InChIKeyNLIKQNIWBWSKAX-UHFFFAOYSA-N
XLogP0.23
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-aminooxolane-3-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[(4-aminooxolane-3-carbonyl)amino]phenyl]acetic acid (CID 66237312) is 2-[3-[(4-aminooxolane-3-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(4-aminooxolane-3-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(4-aminooxolane-3-carbonyl)amino]phenyl]acetic acid is NC1COCC1C(=O)Nc1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-[(4-aminooxolane-3-carbonyl)amino]phenyl]acetic acid?
The InChIKey is NLIKQNIWBWSKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c14-11-7-19-6-10(11)13(18)15-9-3-1-2-8(4-9)5-12(16)17/h1-4,10-11H,5-7,14H2,(H,15,18)(H,16,17).
What are the key properties of 2-[3-[(4-aminooxolane-3-carbonyl)amino]phenyl]acetic acid?
2-[3-[(4-aminooxolane-3-carbonyl)amino]phenyl]acetic acid has a molecular weight of 264.28 g/mol, XLogP of 0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-aminooxolane-3-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 66237312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).