2-[(1S)-2-(2-aminoquinolin-7-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid

C17H20N6O2 — CID 118499833

IUPAC2-[(1S)-2-(2-aminoquinolin-7-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
SMILESCCCC(C(=O)O)[C@H](Cc1ccc2ccc(N)nc2c1)c1nn[nH]n1
InChIInChI=1S/C17H20N6O2/c1-2-3-12(17(24)25)13(16-20-22-23-21-16)8-10-4-5-11-6-7-15(18)19-14(11)9-10/h4-7,9,12-13H,2-3,8H2,1H3,(H2,18,19)(H,24,25)(H,20,21,22,23)/t12?,13-/m0/s1
InChIKeySOHVQROEWZYHBV-ABLWVSNPSA-N
MW340.39 g/mol
LogP2.16
Rot. Bonds7

About 2-[(1S)-2-(2-aminoquinolin-7-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid

2-[(1S)-2-(2-aminoquinolin-7-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid (PubChem CID 118499833) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 2-[(1S)-2-(2-aminoquinolin-7-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid.

Molecular Properties

Compound Name2-[(1S)-2-(2-aminoquinolin-7-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
PubChem CID118499833
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name2-[(1S)-2-(2-aminoquinolin-7-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
SMILESCCCC(C(=O)O)[C@H](Cc1ccc2ccc(N)nc2c1)c1nn[nH]n1
InChIInChI=1S/C17H20N6O2/c1-2-3-12(17(24)25)13(16-20-22-23-21-16)8-10-4-5-11-6-7-15(18)19-14(11)9-10/h4-7,9,12-13H,2-3,8H2,1H3,(H2,18,19)(H,24,25)(H,20,21,22,23)/t12?,13-/m0/s1
InChIKeySOHVQROEWZYHBV-ABLWVSNPSA-N
XLogP2.16
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2-(2-aminoquinolin-7-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid?
The IUPAC name of 2-[(1S)-2-(2-aminoquinolin-7-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid (CID 118499833) is 2-[(1S)-2-(2-aminoquinolin-7-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid.
What is the SMILES notation for 2-[(1S)-2-(2-aminoquinolin-7-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid?
The canonical SMILES for 2-[(1S)-2-(2-aminoquinolin-7-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid is CCCC(C(=O)O)[C@H](Cc1ccc2ccc(N)nc2c1)c1nn[nH]n1.
What is the InChIKey of 2-[(1S)-2-(2-aminoquinolin-7-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid?
The InChIKey is SOHVQROEWZYHBV-ABLWVSNPSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-2-3-12(17(24)25)13(16-20-22-23-21-16)8-10-4-5-11-6-7-15(18)19-14(11)9-10/h4-7,9,12-13H,2-3,8H2,1H3,(H2,18,19)(H,24,25)(H,20,21,22,23)/t12?,13-/m0/s1.
What are the key properties of 2-[(1S)-2-(2-aminoquinolin-7-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid?
2-[(1S)-2-(2-aminoquinolin-7-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid has a molecular weight of 340.39 g/mol, XLogP of 2.16, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2-(2-aminoquinolin-7-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid is sourced from PubChem (CID 118499833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).