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

C10H14N2O5 — CID 63646307

IUPAC2-[carboxymethyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]acetic acid
SMILESCc1nc(CN(CC(=O)O)CC(=O)O)oc1C
InChIInChI=1S/C10H14N2O5/c1-6-7(2)17-8(11-6)3-12(4-9(13)14)5-10(15)16/h3-5H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyBGRGUOBSCFWHGT-UHFFFAOYSA-N
MW242.23 g/mol
LogP0.26
Rot. Bonds6

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

2-[carboxymethyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]acetic acid (PubChem CID 63646307) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-[carboxymethyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]acetic acid
PubChem CID63646307
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name2-[carboxymethyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]acetic acid
SMILESCc1nc(CN(CC(=O)O)CC(=O)O)oc1C
InChIInChI=1S/C10H14N2O5/c1-6-7(2)17-8(11-6)3-12(4-9(13)14)5-10(15)16/h3-5H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyBGRGUOBSCFWHGT-UHFFFAOYSA-N
XLogP0.26
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]acetic acid (CID 63646307) is 2-[carboxymethyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]acetic acid is Cc1nc(CN(CC(=O)O)CC(=O)O)oc1C.
What is the InChIKey of 2-[carboxymethyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]acetic acid?
The InChIKey is BGRGUOBSCFWHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-6-7(2)17-8(11-6)3-12(4-9(13)14)5-10(15)16/h3-5H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-[carboxymethyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]acetic acid?
2-[carboxymethyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]acetic acid has a molecular weight of 242.23 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]acetic acid is sourced from PubChem (CID 63646307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).