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

C9H12N4O6 — CID 63645313

IUPAC2-[carboxymethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]acetic acid
SMILESCc1noc(CNC(=O)N(CC(=O)O)CC(=O)O)n1
InChIInChI=1S/C9H12N4O6/c1-5-11-6(19-12-5)2-10-9(18)13(3-7(14)15)4-8(16)17/h2-4H2,1H3,(H,10,18)(H,14,15)(H,16,17)
InChIKeyGZNOHALWALHYNP-UHFFFAOYSA-N
MW272.22 g/mol
LogP-0.94
Rot. Bonds6

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

2-[carboxymethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]acetic acid (PubChem CID 63645313) has the molecular formula C9H12N4O6 and a molecular weight of 272.22 g/mol. Its IUPAC name is 2-[carboxymethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]acetic acid
PubChem CID63645313
Molecular FormulaC9H12N4O6
Molecular Weight272.22 g/mol
Exact Mass272.08
IUPAC Name2-[carboxymethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]acetic acid
SMILESCc1noc(CNC(=O)N(CC(=O)O)CC(=O)O)n1
InChIInChI=1S/C9H12N4O6/c1-5-11-6(19-12-5)2-10-9(18)13(3-7(14)15)4-8(16)17/h2-4H2,1H3,(H,10,18)(H,14,15)(H,16,17)
InChIKeyGZNOHALWALHYNP-UHFFFAOYSA-N
XLogP-0.94
TPSA145.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[carboxymethyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]acetic acid
CID 79242133
methyl N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 115612439
2-[carboxymethyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]acetic acid
CID 114180679
1-(2-hydroxyethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(4-methylphenyl)methyl]urea
CID 84600281
2,3-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-4-oxobutanoic acid
CID 103497932
2-[tert-butyl-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]acetic acid
CID 106420555
2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-4-oxobutanoic acid
CID 65302481
2-[ethyl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]acetic acid
CID 119205867
2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]cyclopentyl]acetic acid
CID 64701479
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]acetic acid
CID 119192768
2-[(2-amino-2-oxoethyl)-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]amino]acetic acid
CID 107438527
1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 115578476

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]acetic acid (CID 63645313) is 2-[carboxymethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]acetic acid is Cc1noc(CNC(=O)N(CC(=O)O)CC(=O)O)n1.
What is the InChIKey of 2-[carboxymethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]acetic acid?
The InChIKey is GZNOHALWALHYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O6/c1-5-11-6(19-12-5)2-10-9(18)13(3-7(14)15)4-8(16)17/h2-4H2,1H3,(H,10,18)(H,14,15)(H,16,17).
What are the key properties of 2-[carboxymethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]acetic acid?
2-[carboxymethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]acetic acid has a molecular weight of 272.22 g/mol, XLogP of -0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 63645313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).