5-oxo-3-phenyl-5-(2H-tetrazol-5-ylamino)pentanoic acid

C12H13N5O3 — CID 568929

IUPAC5-oxo-3-phenyl-5-(2H-tetrazol-5-ylamino)pentanoic acid
SMILESO=C(O)CC(CC(=O)Nc1nn[nH]n1)c1ccccc1
InChIInChI=1S/C12H13N5O3/c18-10(13-12-14-16-17-15-12)6-9(7-11(19)20)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,19,20)(H2,13,14,15,16,17,18)
InChIKeyUGHHCYZCMXVDJW-UHFFFAOYSA-N
MW275.27 g/mol
LogP0.79
Rot. Bonds6

About 5-oxo-3-phenyl-5-(2H-tetrazol-5-ylamino)pentanoic acid

5-oxo-3-phenyl-5-(2H-tetrazol-5-ylamino)pentanoic acid (PubChem CID 568929) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is 5-oxo-3-phenyl-5-(2H-tetrazol-5-ylamino)pentanoic acid.

Molecular Properties

Compound Name5-oxo-3-phenyl-5-(2H-tetrazol-5-ylamino)pentanoic acid
PubChem CID568929
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Name5-oxo-3-phenyl-5-(2H-tetrazol-5-ylamino)pentanoic acid
SMILESO=C(O)CC(CC(=O)Nc1nn[nH]n1)c1ccccc1
InChIInChI=1S/C12H13N5O3/c18-10(13-12-14-16-17-15-12)6-9(7-11(19)20)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,19,20)(H2,13,14,15,16,17,18)
InChIKeyUGHHCYZCMXVDJW-UHFFFAOYSA-N
XLogP0.79
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-3-phenyl-5-(2H-tetrazol-5-ylamino)pentanoic acid?
The IUPAC name of 5-oxo-3-phenyl-5-(2H-tetrazol-5-ylamino)pentanoic acid (CID 568929) is 5-oxo-3-phenyl-5-(2H-tetrazol-5-ylamino)pentanoic acid.
What is the SMILES notation for 5-oxo-3-phenyl-5-(2H-tetrazol-5-ylamino)pentanoic acid?
The canonical SMILES for 5-oxo-3-phenyl-5-(2H-tetrazol-5-ylamino)pentanoic acid is O=C(O)CC(CC(=O)Nc1nn[nH]n1)c1ccccc1.
What is the InChIKey of 5-oxo-3-phenyl-5-(2H-tetrazol-5-ylamino)pentanoic acid?
The InChIKey is UGHHCYZCMXVDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c18-10(13-12-14-16-17-15-12)6-9(7-11(19)20)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,19,20)(H2,13,14,15,16,17,18).
What are the key properties of 5-oxo-3-phenyl-5-(2H-tetrazol-5-ylamino)pentanoic acid?
5-oxo-3-phenyl-5-(2H-tetrazol-5-ylamino)pentanoic acid has a molecular weight of 275.27 g/mol, XLogP of 0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-3-phenyl-5-(2H-tetrazol-5-ylamino)pentanoic acid is sourced from PubChem (CID 568929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).