2-hydroxy-2-(2-methyl-1,3-benzoxazol-6-yl)acetic acid

C10H9NO4 — CID 131325865

IUPAC2-hydroxy-2-(2-methyl-1,3-benzoxazol-6-yl)acetic acid
SMILESCc1nc2ccc(C(O)C(=O)O)cc2o1
InChIInChI=1S/C10H9NO4/c1-5-11-7-3-2-6(4-8(7)15-5)9(12)10(13)14/h2-4,9,12H,1H3,(H,13,14)
InChIKeyGDCXNBCVCSZUJA-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.25
Rot. Bonds2

About 2-hydroxy-2-(2-methyl-1,3-benzoxazol-6-yl)acetic acid

2-hydroxy-2-(2-methyl-1,3-benzoxazol-6-yl)acetic acid (PubChem CID 131325865) has the molecular formula C10H9NO4 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-hydroxy-2-(2-methyl-1,3-benzoxazol-6-yl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(2-methyl-1,3-benzoxazol-6-yl)acetic acid
PubChem CID131325865
Molecular FormulaC10H9NO4
Molecular Weight207.19 g/mol
Exact Mass207.05
IUPAC Name2-hydroxy-2-(2-methyl-1,3-benzoxazol-6-yl)acetic acid
SMILESCc1nc2ccc(C(O)C(=O)O)cc2o1
InChIInChI=1S/C10H9NO4/c1-5-11-7-3-2-6(4-8(7)15-5)9(12)10(13)14/h2-4,9,12H,1H3,(H,13,14)
InChIKeyGDCXNBCVCSZUJA-UHFFFAOYSA-N
XLogP1.25
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-1-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol
CID 116863715
2-bromo-1-(2-methyl-1,3-benzoxazol-6-yl)ethanol
CID 116863243
1-(methylamino)-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-one
CID 116955902
2-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol
CID 117282404
2-hydroxy-N-(2-methyl-1,3-benzoxazol-6-yl)-2-phenylacetamide
CID 111536513
1-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-ol
CID 116942135
N'-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)methanediamine
CID 116939357
2-methyl-1,3-benzoxazole-6-carboxamide
CID 82490560
3-methyl-2-(2-methyl-1,3-benzoxazol-6-yl)butan-1-amine
CID 82493584
2-amino-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]-3-oxopropanoic acid
CID 115179128
3,4-dihydroxy-4-(2-methyl-1,3-benzoxazol-5-yl)butanoic acid
CID 171877909
2,2-dimethyl-3-(2-methyl-1,3-benzoxazol-6-yl)-3-oxopropanoic acid
CID 116918123

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(2-methyl-1,3-benzoxazol-6-yl)acetic acid?
The IUPAC name of 2-hydroxy-2-(2-methyl-1,3-benzoxazol-6-yl)acetic acid (CID 131325865) is 2-hydroxy-2-(2-methyl-1,3-benzoxazol-6-yl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(2-methyl-1,3-benzoxazol-6-yl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(2-methyl-1,3-benzoxazol-6-yl)acetic acid is Cc1nc2ccc(C(O)C(=O)O)cc2o1.
What is the InChIKey of 2-hydroxy-2-(2-methyl-1,3-benzoxazol-6-yl)acetic acid?
The InChIKey is GDCXNBCVCSZUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c1-5-11-7-3-2-6(4-8(7)15-5)9(12)10(13)14/h2-4,9,12H,1H3,(H,13,14).
What are the key properties of 2-hydroxy-2-(2-methyl-1,3-benzoxazol-6-yl)acetic acid?
2-hydroxy-2-(2-methyl-1,3-benzoxazol-6-yl)acetic acid has a molecular weight of 207.19 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(2-methyl-1,3-benzoxazol-6-yl)acetic acid is sourced from PubChem (CID 131325865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).