2-[carboxymethyl(1,2-oxazol-4-ylmethyl)amino]acetic acid

C8H10N2O5 — CID 63644452

IUPAC2-[carboxymethyl(1,2-oxazol-4-ylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)Cc1cnoc1
InChIInChI=1S/C8H10N2O5/c11-7(12)3-10(4-8(13)14)2-6-1-9-15-5-6/h1,5H,2-4H2,(H,11,12)(H,13,14)
InChIKeyRRPHUBAOQZKHHX-UHFFFAOYSA-N
MW214.18 g/mol
LogP-0.35
Rot. Bonds6

About 2-[carboxymethyl(1,2-oxazol-4-ylmethyl)amino]acetic acid

2-[carboxymethyl(1,2-oxazol-4-ylmethyl)amino]acetic acid (PubChem CID 63644452) has the molecular formula C8H10N2O5 and a molecular weight of 214.18 g/mol. Its IUPAC name is 2-[carboxymethyl(1,2-oxazol-4-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(1,2-oxazol-4-ylmethyl)amino]acetic acid
PubChem CID63644452
Molecular FormulaC8H10N2O5
Molecular Weight214.18 g/mol
Exact Mass214.06
IUPAC Name2-[carboxymethyl(1,2-oxazol-4-ylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)Cc1cnoc1
InChIInChI=1S/C8H10N2O5/c11-7(12)3-10(4-8(13)14)2-6-1-9-15-5-6/h1,5H,2-4H2,(H,11,12)(H,13,14)
InChIKeyRRPHUBAOQZKHHX-UHFFFAOYSA-N
XLogP-0.35
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1,2-oxazol-4-ylmethyl(prop-2-enyl)amino]acetic acid
CID 79276600
ethyl 2-[1,2-oxazol-4-ylmethyl(propyl)amino]acetate
CID 55207786
2-[(1,1-dioxothiolan-3-yl)-(1,2-oxazol-4-ylmethyl)amino]acetic acid
CID 60873465
3-[N-(1,2-oxazol-4-ylmethyl)anilino]propanoic acid
CID 60873648
4-(1,2-oxazol-4-yl)butanoic acid
CID 45099096
2-[1-[methyl(1,2-oxazol-4-ylmethyl)amino]cyclohexyl]acetic acid
CID 65242953
2-[methyl(1,2-oxazole-4-carbonyl)amino]acetic acid
CID 83617811
2-[2-[bis(carboxymethyl)amino]ethyl-[[4-[[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]methyl]phenyl]methyl]amino]acetic acid
CID 163523536
2-[carboxymethyl-[(4-hydroxyphenyl)methyl]amino]acetic acid
CID 23422378
4-[[bis(carboxymethyl)amino]methyl]pyridine-2,6-dicarboxylic acid
CID 11580439
5-[bis(1,2-oxazol-4-ylmethyl)amino]-1-(5-phenyl-1,2-oxazol-3-yl)pentan-1-one
CID 160735005
2-amino-3-(1,2-oxazol-4-ylmethylsulfanyl)propanoic acid
CID 60869400

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(1,2-oxazol-4-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(1,2-oxazol-4-ylmethyl)amino]acetic acid (CID 63644452) is 2-[carboxymethyl(1,2-oxazol-4-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(1,2-oxazol-4-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(1,2-oxazol-4-ylmethyl)amino]acetic acid is O=C(O)CN(CC(=O)O)Cc1cnoc1.
What is the InChIKey of 2-[carboxymethyl(1,2-oxazol-4-ylmethyl)amino]acetic acid?
The InChIKey is RRPHUBAOQZKHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O5/c11-7(12)3-10(4-8(13)14)2-6-1-9-15-5-6/h1,5H,2-4H2,(H,11,12)(H,13,14).
What are the key properties of 2-[carboxymethyl(1,2-oxazol-4-ylmethyl)amino]acetic acid?
2-[carboxymethyl(1,2-oxazol-4-ylmethyl)amino]acetic acid has a molecular weight of 214.18 g/mol, XLogP of -0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(1,2-oxazol-4-ylmethyl)amino]acetic acid is sourced from PubChem (CID 63644452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).