3-amino-2-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)propanoic acid

C10H11N3O3 — CID 84686471

IUPAC3-amino-2-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)propanoic acid
SMILESCc1nc2cc(C(CN)C(=O)O)cnc2o1
InChIInChI=1S/C10H11N3O3/c1-5-13-8-2-6(4-12-9(8)16-5)7(3-11)10(14)15/h2,4,7H,3,11H2,1H3,(H,14,15)
InChIKeyZPEPHYRYSCPJHD-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.66
Rot. Bonds3

About 3-amino-2-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)propanoic acid

3-amino-2-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)propanoic acid (PubChem CID 84686471) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 3-amino-2-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)propanoic acid
PubChem CID84686471
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name3-amino-2-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)propanoic acid
SMILESCc1nc2cc(C(CN)C(=O)O)cnc2o1
InChIInChI=1S/C10H11N3O3/c1-5-13-8-2-6(4-12-9(8)16-5)7(3-11)10(14)15/h2,4,7H,3,11H2,1H3,(H,14,15)
InChIKeyZPEPHYRYSCPJHD-UHFFFAOYSA-N
XLogP0.66
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)ethanamine
CID 84655967
2-amino-1-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)propan-1-ol
CID 84675057
3-amino-2-(4-chloro-3-methylphenyl)propanoic acid
CID 83835403
3-amino-2-(2-propan-2-yl-1,3-benzothiazol-5-yl)propanoic acid
CID 117415560
3,4-diamino-4-(2-methyl-1,3-benzoxazol-5-yl)butanoic acid
CID 116942843
2-amino-3-(methylamino)-3-(2-methyl-1,3-benzoxazol-5-yl)propanoic acid
CID 116957401
2-amino-2-(7-chloro-2-methyl-1,3-benzoxazol-5-yl)acetic acid
CID 83898908
3-amino-2-(3-hydroxy-4,5-dimethylphenyl)propanoic acid
CID 117298581
3,4-dihydroxy-4-(2-methyl-1,3-benzoxazol-5-yl)butanoic acid
CID 171877909
3-amino-2-(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid
CID 84787752
2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine-6-carboxylic acid
CID 83819985
2-[6-(1,2-dicarboxyethyl)-5-methyl-3-pyridinyl]butanedioic acid
CID 174764952

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)propanoic acid?
The IUPAC name of 3-amino-2-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)propanoic acid (CID 84686471) is 3-amino-2-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)propanoic acid.
What is the SMILES notation for 3-amino-2-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)propanoic acid?
The canonical SMILES for 3-amino-2-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)propanoic acid is Cc1nc2cc(C(CN)C(=O)O)cnc2o1.
What is the InChIKey of 3-amino-2-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)propanoic acid?
The InChIKey is ZPEPHYRYSCPJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-5-13-8-2-6(4-12-9(8)16-5)7(3-11)10(14)15/h2,4,7H,3,11H2,1H3,(H,14,15).
What are the key properties of 3-amino-2-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)propanoic acid?
3-amino-2-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)propanoic acid has a molecular weight of 221.22 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)propanoic acid is sourced from PubChem (CID 84686471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).