4-amino-5-oxo-5-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentanoic acid

C15H18N8O4 — CID 145006076

IUPAC4-amino-5-oxo-5-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentanoic acid
SMILESNC(CCC(=O)O)C(=O)N1c2ncccc2CC1C(=O)NCc1nn[nH]n1
InChIInChI=1S/C15H18N8O4/c16-9(3-4-12(24)25)15(27)23-10(6-8-2-1-5-17-13(8)23)14(26)18-7-11-19-21-22-20-11/h1-2,5,9-10H,3-4,6-7,16H2,(H,18,26)(H,24,25)(H,19,20,21,22)
InChIKeyUKWXUDGUJNSIJC-UHFFFAOYSA-N
MW374.36 g/mol
LogP-1.64
Rot. Bonds7

About 4-amino-5-oxo-5-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentanoic acid

4-amino-5-oxo-5-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentanoic acid (PubChem CID 145006076) has the molecular formula C15H18N8O4 and a molecular weight of 374.36 g/mol. Its IUPAC name is 4-amino-5-oxo-5-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentanoic acid.

Molecular Properties

Compound Name4-amino-5-oxo-5-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentanoic acid
PubChem CID145006076
Molecular FormulaC15H18N8O4
Molecular Weight374.36 g/mol
Exact Mass374.15
IUPAC Name4-amino-5-oxo-5-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentanoic acid
SMILESNC(CCC(=O)O)C(=O)N1c2ncccc2CC1C(=O)NCc1nn[nH]n1
InChIInChI=1S/C15H18N8O4/c16-9(3-4-12(24)25)15(27)23-10(6-8-2-1-5-17-13(8)23)14(26)18-7-11-19-21-22-20-11/h1-2,5,9-10H,3-4,6-7,16H2,(H,18,26)(H,24,25)(H,19,20,21,22)
InChIKeyUKWXUDGUJNSIJC-UHFFFAOYSA-N
XLogP-1.64
TPSA180.08 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 5-1.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-oxo-5-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentanoic acid?
The IUPAC name of 4-amino-5-oxo-5-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentanoic acid (CID 145006076) is 4-amino-5-oxo-5-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentanoic acid.
What is the SMILES notation for 4-amino-5-oxo-5-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentanoic acid?
The canonical SMILES for 4-amino-5-oxo-5-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentanoic acid is NC(CCC(=O)O)C(=O)N1c2ncccc2CC1C(=O)NCc1nn[nH]n1.
What is the InChIKey of 4-amino-5-oxo-5-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentanoic acid?
The InChIKey is UKWXUDGUJNSIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8O4/c16-9(3-4-12(24)25)15(27)23-10(6-8-2-1-5-17-13(8)23)14(26)18-7-11-19-21-22-20-11/h1-2,5,9-10H,3-4,6-7,16H2,(H,18,26)(H,24,25)(H,19,20,21,22).
What are the key properties of 4-amino-5-oxo-5-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentanoic acid?
4-amino-5-oxo-5-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentanoic acid has a molecular weight of 374.36 g/mol, XLogP of -1.64, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-oxo-5-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentanoic acid is sourced from PubChem (CID 145006076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).