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

C11H15N3O6 — CID 63645461

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

2-[carboxymethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid (PubChem CID 63645461) has the molecular formula C11H15N3O6 and a molecular weight of 285.26 g/mol. Its IUPAC name is 2-[carboxymethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[carboxymethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid
• PubChem CID: 63645461
• Molecular Formula: C11H15N3O6
• Molecular Weight: 285.26 g/mol
• Exact Mass: 285.10
• IUPAC Name: 2-[carboxymethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid
• SMILES: Cc1cc(NC(=O)CCN(CC(=O)O)CC(=O)O)no1
• InChI: InChI=1S/C11H15N3O6/c1-7-4-8(13-20-7)12-9(15)2-3-14(5-10(16)17)6-11(18)19/h4H,2-3,5-6H2,1H3,(H,16,17)(H,18,19)(H,12,13,15)
• InChIKey: DXHBYFPLZIDFES-UHFFFAOYSA-N
• XLogP: -0.22
• TPSA: 132.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	285.26
LogP ≤ 5	-0.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid?

The IUPAC name of 2-[carboxymethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid (CID 63645461) is 2-[carboxymethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid.

What is the SMILES notation for 2-[carboxymethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid?

The canonical SMILES for 2-[carboxymethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid is Cc1cc(NC(=O)CCN(CC(=O)O)CC(=O)O)no1.

What is the InChIKey of 2-[carboxymethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid?

The InChIKey is DXHBYFPLZIDFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O6/c1-7-4-8(13-20-7)12-9(15)2-3-14(5-10(16)17)6-11(18)19/h4H,2-3,5-6H2,1H3,(H,16,17)(H,18,19)(H,12,13,15).

What are the key properties of 2-[carboxymethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid?

2-[carboxymethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid has a molecular weight of 285.26 g/mol, XLogP of -0.22, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[carboxymethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid is sourced from PubChem (CID 63645461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).