2-[5-(carboxymethyl)-3-methyl-4H-1,2-oxazol-5-yl]acetic acid

C8H11NO5 — CID 118298732

IUPAC2-[5-(carboxymethyl)-3-methyl-4H-1,2-oxazol-5-yl]acetic acid
SMILESCC1=NOC(CC(=O)O)(CC(=O)O)C1
InChIInChI=1S/C8H11NO5/c1-5-2-8(14-9-5,3-6(10)11)4-7(12)13/h2-4H2,1H3,(H,10,11)(H,12,13)
InChIKeyMNGDNVDHKJAKDT-UHFFFAOYSA-N
MW201.18 g/mol
LogP0.47
Rot. Bonds4

About 2-[5-(carboxymethyl)-3-methyl-4H-1,2-oxazol-5-yl]acetic acid

2-[5-(carboxymethyl)-3-methyl-4H-1,2-oxazol-5-yl]acetic acid (PubChem CID 118298732) has the molecular formula C8H11NO5 and a molecular weight of 201.18 g/mol. Its IUPAC name is 2-[5-(carboxymethyl)-3-methyl-4H-1,2-oxazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(carboxymethyl)-3-methyl-4H-1,2-oxazol-5-yl]acetic acid
PubChem CID118298732
Molecular FormulaC8H11NO5
Molecular Weight201.18 g/mol
Exact Mass201.06
IUPAC Name2-[5-(carboxymethyl)-3-methyl-4H-1,2-oxazol-5-yl]acetic acid
SMILESCC1=NOC(CC(=O)O)(CC(=O)O)C1
InChIInChI=1S/C8H11NO5/c1-5-2-8(14-9-5,3-6(10)11)4-7(12)13/h2-4H2,1H3,(H,10,11)(H,12,13)
InChIKeyMNGDNVDHKJAKDT-UHFFFAOYSA-N
XLogP0.47
TPSA96.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(carboxymethyl)-3-methyl-4H-1,2-oxazol-5-yl]acetic acid?
The IUPAC name of 2-[5-(carboxymethyl)-3-methyl-4H-1,2-oxazol-5-yl]acetic acid (CID 118298732) is 2-[5-(carboxymethyl)-3-methyl-4H-1,2-oxazol-5-yl]acetic acid.
What is the SMILES notation for 2-[5-(carboxymethyl)-3-methyl-4H-1,2-oxazol-5-yl]acetic acid?
The canonical SMILES for 2-[5-(carboxymethyl)-3-methyl-4H-1,2-oxazol-5-yl]acetic acid is CC1=NOC(CC(=O)O)(CC(=O)O)C1.
What is the InChIKey of 2-[5-(carboxymethyl)-3-methyl-4H-1,2-oxazol-5-yl]acetic acid?
The InChIKey is MNGDNVDHKJAKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO5/c1-5-2-8(14-9-5,3-6(10)11)4-7(12)13/h2-4H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-[5-(carboxymethyl)-3-methyl-4H-1,2-oxazol-5-yl]acetic acid?
2-[5-(carboxymethyl)-3-methyl-4H-1,2-oxazol-5-yl]acetic acid has a molecular weight of 201.18 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(carboxymethyl)-3-methyl-4H-1,2-oxazol-5-yl]acetic acid is sourced from PubChem (CID 118298732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).