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

C14H18N2O4 — CID 115339875

IUPAC3-[3-[(4-aminooxolane-3-carbonyl)amino]phenyl]propanoic acid
SMILESNC1COCC1C(=O)Nc1cccc(CCC(=O)O)c1
InChIInChI=1S/C14H18N2O4/c15-12-8-20-7-11(12)14(19)16-10-3-1-2-9(6-10)4-5-13(17)18/h1-3,6,11-12H,4-5,7-8,15H2,(H,16,19)(H,17,18)
InChIKeyXSZNEXPLWUSNQA-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.62
Rot. Bonds5

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

3-[3-[(4-aminooxolane-3-carbonyl)amino]phenyl]propanoic acid (PubChem CID 115339875) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-[3-[(4-aminooxolane-3-carbonyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-[(4-aminooxolane-3-carbonyl)amino]phenyl]propanoic acid
PubChem CID115339875
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name3-[3-[(4-aminooxolane-3-carbonyl)amino]phenyl]propanoic acid
SMILESNC1COCC1C(=O)Nc1cccc(CCC(=O)O)c1
InChIInChI=1S/C14H18N2O4/c15-12-8-20-7-11(12)14(19)16-10-3-1-2-9(6-10)4-5-13(17)18/h1-3,6,11-12H,4-5,7-8,15H2,(H,16,19)(H,17,18)
InChIKeyXSZNEXPLWUSNQA-UHFFFAOYSA-N
XLogP0.62
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(4-aminooxolane-3-carbonyl)amino]phenyl]acetic acid
CID 66237312
4-amino-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide
CID 66240217
4-amino-N-[3-(diethylaminomethyl)phenyl]oxolane-3-carboxamide
CID 66240637
4-amino-N-(3-sulfamoylphenyl)oxolane-3-carboxamide
CID 66239997
4-amino-N-[3-(1,2,4-triazol-4-yl)phenyl]oxolane-3-carboxamide
CID 66240428
3-[3-(bicyclo[3.1.0]hexane-3-carbonylamino)phenyl]propanoic acid
CID 115339348
3-[3-(piperidine-4-carbonylamino)phenyl]propanoic acid
CID 115339856
3-[3-[[5-(aminomethyl)oxolane-2-carbonyl]amino]phenyl]propanoic acid
CID 115339928
3-[3-[[(2R,3R)-2-pyridin-4-yloxolane-3-carbonyl]amino]phenyl]propanoic acid
CID 138045892
4-[(4-aminooxolane-3-carbonyl)amino]benzoic acid
CID 66238273
4-amino-N-[2-(3-chlorophenyl)ethyl]oxolane-3-carboxamide
CID 66237478
4-amino-N-[4-(carbamoylamino)phenyl]oxolane-3-carboxamide
CID 66238841

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-aminooxolane-3-carbonyl)amino]phenyl]propanoic acid?
The IUPAC name of 3-[3-[(4-aminooxolane-3-carbonyl)amino]phenyl]propanoic acid (CID 115339875) is 3-[3-[(4-aminooxolane-3-carbonyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[3-[(4-aminooxolane-3-carbonyl)amino]phenyl]propanoic acid?
The canonical SMILES for 3-[3-[(4-aminooxolane-3-carbonyl)amino]phenyl]propanoic acid is NC1COCC1C(=O)Nc1cccc(CCC(=O)O)c1.
What is the InChIKey of 3-[3-[(4-aminooxolane-3-carbonyl)amino]phenyl]propanoic acid?
The InChIKey is XSZNEXPLWUSNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c15-12-8-20-7-11(12)14(19)16-10-3-1-2-9(6-10)4-5-13(17)18/h1-3,6,11-12H,4-5,7-8,15H2,(H,16,19)(H,17,18).
What are the key properties of 3-[3-[(4-aminooxolane-3-carbonyl)amino]phenyl]propanoic acid?
3-[3-[(4-aminooxolane-3-carbonyl)amino]phenyl]propanoic acid has a molecular weight of 278.31 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-aminooxolane-3-carbonyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 115339875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).