2-amino-3-[3-oxo-5-(1-propyltetrazol-5-yl)-1,2-oxazol-4-yl]propanoic acid

C10H14N6O4 — CID 11460225

IUPAC2-amino-3-[3-oxo-5-(1-propyltetrazol-5-yl)-1,2-oxazol-4-yl]propanoic acid
SMILESCCCn1nnnc1-c1o[nH]c(=O)c1CC(N)C(=O)O
InChIInChI=1S/C10H14N6O4/c1-2-3-16-8(12-14-15-16)7-5(9(17)13-20-7)4-6(11)10(18)19/h6H,2-4,11H2,1H3,(H,13,17)(H,18,19)
InChIKeyLMHQGZRURJLIHN-UHFFFAOYSA-N
MW282.26 g/mol
LogP-1.01
Rot. Bonds6

About 2-amino-3-[3-oxo-5-(1-propyltetrazol-5-yl)-1,2-oxazol-4-yl]propanoic acid

2-amino-3-[3-oxo-5-(1-propyltetrazol-5-yl)-1,2-oxazol-4-yl]propanoic acid (PubChem CID 11460225) has the molecular formula C10H14N6O4 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-amino-3-[3-oxo-5-(1-propyltetrazol-5-yl)-1,2-oxazol-4-yl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[3-oxo-5-(1-propyltetrazol-5-yl)-1,2-oxazol-4-yl]propanoic acid
PubChem CID11460225
Molecular FormulaC10H14N6O4
Molecular Weight282.26 g/mol
Exact Mass282.11
IUPAC Name2-amino-3-[3-oxo-5-(1-propyltetrazol-5-yl)-1,2-oxazol-4-yl]propanoic acid
SMILESCCCn1nnnc1-c1o[nH]c(=O)c1CC(N)C(=O)O
InChIInChI=1S/C10H14N6O4/c1-2-3-16-8(12-14-15-16)7-5(9(17)13-20-7)4-6(11)10(18)19/h6H,2-4,11H2,1H3,(H,13,17)(H,18,19)
InChIKeyLMHQGZRURJLIHN-UHFFFAOYSA-N
XLogP-1.01
TPSA152.92 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3-oxo-5-(1-propyltetrazol-5-yl)-1,2-oxazol-4-yl]propanoic acid?
The IUPAC name of 2-amino-3-[3-oxo-5-(1-propyltetrazol-5-yl)-1,2-oxazol-4-yl]propanoic acid (CID 11460225) is 2-amino-3-[3-oxo-5-(1-propyltetrazol-5-yl)-1,2-oxazol-4-yl]propanoic acid.
What is the SMILES notation for 2-amino-3-[3-oxo-5-(1-propyltetrazol-5-yl)-1,2-oxazol-4-yl]propanoic acid?
The canonical SMILES for 2-amino-3-[3-oxo-5-(1-propyltetrazol-5-yl)-1,2-oxazol-4-yl]propanoic acid is CCCn1nnnc1-c1o[nH]c(=O)c1CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-[3-oxo-5-(1-propyltetrazol-5-yl)-1,2-oxazol-4-yl]propanoic acid?
The InChIKey is LMHQGZRURJLIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O4/c1-2-3-16-8(12-14-15-16)7-5(9(17)13-20-7)4-6(11)10(18)19/h6H,2-4,11H2,1H3,(H,13,17)(H,18,19).
What are the key properties of 2-amino-3-[3-oxo-5-(1-propyltetrazol-5-yl)-1,2-oxazol-4-yl]propanoic acid?
2-amino-3-[3-oxo-5-(1-propyltetrazol-5-yl)-1,2-oxazol-4-yl]propanoic acid has a molecular weight of 282.26 g/mol, XLogP of -1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3-oxo-5-(1-propyltetrazol-5-yl)-1,2-oxazol-4-yl]propanoic acid is sourced from PubChem (CID 11460225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).