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

C10H13N3O6 — CID 55245946

IUPAC2-[carboxymethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetic acid
SMILESCc1cc(NC(=O)CN(CC(=O)O)CC(=O)O)no1
InChIInChI=1S/C10H13N3O6/c1-6-2-7(12-19-6)11-8(14)3-13(4-9(15)16)5-10(17)18/h2H,3-5H2,1H3,(H,15,16)(H,17,18)(H,11,12,14)
InChIKeyUGPCUNGTMPYGGA-UHFFFAOYSA-N
MW271.23 g/mol
LogP-0.61
Rot. Bonds7

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

2-[carboxymethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetic acid (PubChem CID 55245946) has the molecular formula C10H13N3O6 and a molecular weight of 271.23 g/mol. Its IUPAC name is 2-[carboxymethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetic acid
PubChem CID55245946
Molecular FormulaC10H13N3O6
Molecular Weight271.23 g/mol
Exact Mass271.08
IUPAC Name2-[carboxymethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetic acid
SMILESCc1cc(NC(=O)CN(CC(=O)O)CC(=O)O)no1
InChIInChI=1S/C10H13N3O6/c1-6-2-7(12-19-6)11-8(14)3-13(4-9(15)16)5-10(17)18/h2H,3-5H2,1H3,(H,15,16)(H,17,18)(H,11,12,14)
InChIKeyUGPCUNGTMPYGGA-UHFFFAOYSA-N
XLogP-0.61
TPSA132.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[carboxymethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid
CID 63645461
2-[ethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid
CID 54900050
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 51171141
2-[dimethylcarbamoyl(ethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 814446
2-(N-ethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 47121660
2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-phenylacetamide
CID 51282195
N-tert-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 42768772
2-[cyclohexyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 18078417
2-[2-hydroxyethyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 111120306
2-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide
CID 60947011
2,3-dimethyl-4-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobut-2-enoic acid
CID 76993005
4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-4-oxobutanoic acid
CID 28746271

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetic acid (CID 55245946) is 2-[carboxymethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetic acid is Cc1cc(NC(=O)CN(CC(=O)O)CC(=O)O)no1.
What is the InChIKey of 2-[carboxymethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetic acid?
The InChIKey is UGPCUNGTMPYGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O6/c1-6-2-7(12-19-6)11-8(14)3-13(4-9(15)16)5-10(17)18/h2H,3-5H2,1H3,(H,15,16)(H,17,18)(H,11,12,14).
What are the key properties of 2-[carboxymethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetic acid?
2-[carboxymethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetic acid has a molecular weight of 271.23 g/mol, XLogP of -0.61, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 55245946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).