3-(1,3-benzoxazol-2-yl)propanoic acid

C10H9NO3 — CID 2474218

IUPAC3-(1,3-benzoxazol-2-yl)propanoic acid
SMILESO=C(O)CCc1nc2ccccc2o1
InChIInChI=1S/C10H9NO3/c12-10(13)6-5-9-11-7-3-1-2-4-8(7)14-9/h1-4H,5-6H2,(H,12,13)
InChIKeyFUPQHVOTDIAYLV-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.85
Rot. Bonds3

About 3-(1,3-benzoxazol-2-yl)propanoic acid

3-(1,3-benzoxazol-2-yl)propanoic acid (PubChem CID 2474218) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-yl)propanoic acid
PubChem CID2474218
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name3-(1,3-benzoxazol-2-yl)propanoic acid
SMILESO=C(O)CCc1nc2ccccc2o1
InChIInChI=1S/C10H9NO3/c12-10(13)6-5-9-11-7-3-1-2-4-8(7)14-9/h1-4H,5-6H2,(H,12,13)
InChIKeyFUPQHVOTDIAYLV-UHFFFAOYSA-N
XLogP1.85
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1,3-benzoxazol-2-yl)hexanoic acid
CID 18979147
4-[3-(1,3-benzoxazol-2-yl)propanoyl-methylamino]butanoic acid
CID 119172919
2-[4-(1,3-benzoxazol-2-yl)butyl]pentanedioic acid
CID 152770832
4-[3-(1,3-benzoxazol-2-yl)propanoylamino]-4-phenylbutanoic acid
CID 119201127
3-(6-chloro-1,3-benzoxazol-2-yl)propanoic acid
CID 81433022
tert-butyl 3-(1,3-benzoxazol-2-yl)propanoate
CID 10263988
(2S)-2-[3-(1,3-benzoxazol-2-yl)propanoylamino]propanoic acid
CID 119238117
3-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid
CID 82403009
amino 4-(1,3-benzoxazol-2-yl)butanoate
CID 174418719
3-(5-ethyl-1,3-benzoxazol-2-yl)propanoic acid
CID 79017178
3-(5-tert-butyl-1,3-benzoxazol-2-yl)propanoic acid
CID 43554566
3-(1,3-benzoxazol-2-yl)-N-[(2S)-2-phenylpropyl]propanamide
CID 100510503

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-yl)propanoic acid?
The IUPAC name of 3-(1,3-benzoxazol-2-yl)propanoic acid (CID 2474218) is 3-(1,3-benzoxazol-2-yl)propanoic acid.
What is the SMILES notation for 3-(1,3-benzoxazol-2-yl)propanoic acid?
The canonical SMILES for 3-(1,3-benzoxazol-2-yl)propanoic acid is O=C(O)CCc1nc2ccccc2o1.
What is the InChIKey of 3-(1,3-benzoxazol-2-yl)propanoic acid?
The InChIKey is FUPQHVOTDIAYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c12-10(13)6-5-9-11-7-3-1-2-4-8(7)14-9/h1-4H,5-6H2,(H,12,13).
What are the key properties of 3-(1,3-benzoxazol-2-yl)propanoic acid?
3-(1,3-benzoxazol-2-yl)propanoic acid has a molecular weight of 191.19 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-yl)propanoic acid is sourced from PubChem (CID 2474218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).