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

C17H20N6O2 — CID 118499832

IUPAC(2S)-2-[(1S)-2-(2-aminoquinolin-7-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
SMILESCCC[C@H](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-STQMWFEESA-N
MW340.39 g/mol
LogP2.16
Rot. Bonds7

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

(2S)-2-[(1S)-2-(2-aminoquinolin-7-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid (PubChem CID 118499832) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is (2S)-2-[(1S)-2-(2-aminoquinolin-7-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(1S)-2-(2-aminoquinolin-7-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
PubChem CID118499832
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name(2S)-2-[(1S)-2-(2-aminoquinolin-7-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
SMILESCCC[C@H](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-STQMWFEESA-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

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

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Related Compounds

2-[(1S)-2-(3-aminoquinolin-6-yl)-1-(2H-tetrazol-5-yl)ethyl]-4-methylpentanoic acid
CID 129240140
2-(2-Aminoquinolin-3-yl)propanoic acid
CID 10727443
3-(2-Aminoquinolin-4-yl)propanoic acid
CID 67366211
5-(2-Aminoquinolin-5-yl)pentanoic acid
CID 69303254
2-[(1S)-2-(2-aminoquinolin-7-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
CID 118499833
(2S)-2-[(1S)-2-(3-aminoquinolin-6-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
CID 118499839
(2S)-2-[(1S)-2-[3-(2-hydroxyethylamino)quinolin-7-yl]-1-(2H-tetrazol-5-yl)ethyl]-4-methylpentanoic acid
CID 118505985
(2S)-2-[(1S)-2-(3-aminoquinolin-6-yl)-1-(2H-tetrazol-5-yl)ethyl]-4-methylpentanoic acid
CID 118506031
(2S)-2-[(1S)-2-(6-amino-2-pyridinyl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
CID 118506032
(2S)-2-[(1S)-2-[4-(6-amino-3-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
CID 118506126
(2S)-2-[(1S)-2-[6-(6-amino-3-pyridinyl)-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]-4-methylpentanoic acid
CID 118506214
(2S)-2-[(1S)-2-[6-(2-amino-4-pyridinyl)-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]-4-methylpentanoic acid
CID 118506242

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1S)-2-(2-aminoquinolin-7-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid?
The IUPAC name of (2S)-2-[(1S)-2-(2-aminoquinolin-7-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid (CID 118499832) is (2S)-2-[(1S)-2-(2-aminoquinolin-7-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid.
What is the SMILES notation for (2S)-2-[(1S)-2-(2-aminoquinolin-7-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid?
The canonical SMILES for (2S)-2-[(1S)-2-(2-aminoquinolin-7-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid is CCC[C@H](C(=O)O)[C@H](Cc1ccc2ccc(N)nc2c1)c1nn[nH]n1.
What is the InChIKey of (2S)-2-[(1S)-2-(2-aminoquinolin-7-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid?
The InChIKey is SOHVQROEWZYHBV-STQMWFEESA-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 (2S)-2-[(1S)-2-(2-aminoquinolin-7-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid?
(2S)-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 (2S)-2-[(1S)-2-(2-aminoquinolin-7-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid is sourced from PubChem (CID 118499832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).