3-hydroxy-2-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]propanoic acid

C13H14N2O5 — CID 108803195

IUPAC3-hydroxy-2-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]propanoic acid
SMILESCc1ccc2onc(CC(=O)NC(CO)C(=O)O)c2c1
InChIInChI=1S/C13H14N2O5/c1-7-2-3-11-8(4-7)9(15-20-11)5-12(17)14-10(6-16)13(18)19/h2-4,10,16H,5-6H2,1H3,(H,14,17)(H,18,19)
InChIKeyABVDZFVMZWTLEQ-UHFFFAOYSA-N
MW278.26 g/mol
LogP0.24
Rot. Bonds5

About 3-hydroxy-2-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]propanoic acid

3-hydroxy-2-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]propanoic acid (PubChem CID 108803195) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is 3-hydroxy-2-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]propanoic acid
PubChem CID108803195
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name3-hydroxy-2-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]propanoic acid
SMILESCc1ccc2onc(CC(=O)NC(CO)C(=O)O)c2c1
InChIInChI=1S/C13H14N2O5/c1-7-2-3-11-8(4-7)9(15-20-11)5-12(17)14-10(6-16)13(18)19/h2-4,10,16H,5-6H2,1H3,(H,14,17)(H,18,19)
InChIKeyABVDZFVMZWTLEQ-UHFFFAOYSA-N
XLogP0.24
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methyl-1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40647250
N-ethyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108790457
2-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]butanoic acid
CID 108804264
2-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]-3-sulfanylpropanoic acid
CID 108792070
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2-methylphenyl)acetamide
CID 22519860
N-(3-aminopropyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108790505
2-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoic acid
CID 108803274
N-[2-(2-hydroxyethoxy)ethyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108790464
N-[(4-chlorophenyl)methyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 22519867
2-(5-methyl-1,2-benzoxazol-3-yl)-N-pyridin-2-ylacetamide
CID 22519774
(5-methyl-1,2-benzoxazol-3-yl)methanol
CID 119083461
N-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 22519887

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]propanoic acid (CID 108803195) is 3-hydroxy-2-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]propanoic acid is Cc1ccc2onc(CC(=O)NC(CO)C(=O)O)c2c1.
What is the InChIKey of 3-hydroxy-2-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]propanoic acid?
The InChIKey is ABVDZFVMZWTLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c1-7-2-3-11-8(4-7)9(15-20-11)5-12(17)14-10(6-16)13(18)19/h2-4,10,16H,5-6H2,1H3,(H,14,17)(H,18,19).
What are the key properties of 3-hydroxy-2-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]propanoic acid?
3-hydroxy-2-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]propanoic acid has a molecular weight of 278.26 g/mol, XLogP of 0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 108803195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).