(2R)-2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid

C14H18N4O2 — CID 118499935

IUPAC(2R)-2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
SMILESCCC[C@@H](C(=O)O)[C@H](Cc1ccccc1)c1nn[nH]n1
InChIInChI=1S/C14H18N4O2/c1-2-6-11(14(19)20)12(13-15-17-18-16-13)9-10-7-4-3-5-8-10/h3-5,7-8,11-12H,2,6,9H2,1H3,(H,19,20)(H,15,16,17,18)/t11-,12+/m1/s1
InChIKeyKCTDBULZTXFESV-NEPJUHHUSA-N
MW274.32 g/mol
LogP2.03
Rot. Bonds7

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

(2R)-2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid (PubChem CID 118499935) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is (2R)-2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
PubChem CID118499935
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name(2R)-2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
SMILESCCC[C@@H](C(=O)O)[C@H](Cc1ccccc1)c1nn[nH]n1
InChIInChI=1S/C14H18N4O2/c1-2-6-11(14(19)20)12(13-15-17-18-16-13)9-10-7-4-3-5-8-10/h3-5,7-8,11-12H,2,6,9H2,1H3,(H,19,20)(H,15,16,17,18)/t11-,12+/m1/s1
InChIKeyKCTDBULZTXFESV-NEPJUHHUSA-N
XLogP2.03
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-carboxy-2-(2H-tetrazol-5-yl)hexyl]benzoic acid
CID 123953729
2-[(1S)-2-(4-carbamoylphenyl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
CID 129240231
6-hydroxy-2-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]hexanoic acid
CID 123390760
2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]heptanedioic acid
CID 118499889
(2S)-2-[(1S)-2-[3-[3-(aminomethyl)phenyl]phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
CID 118506138
2-[(1S)-2-(6-oxo-1H-pyridin-3-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
CID 118499847
2-[2-(3-pyridin-3-ylphenyl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
CID 123990328
(2S)-2-[(1S)-2-[3-[2-(dimethylamino)ethyl-methylamino]phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
CID 118506037
2-[2-[3-[2-(dimethylamino)ethyl-methylamino]phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
CID 123520308
(2S)-2-[(1S)-2-(2-methylsulfanylpyrimidin-5-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
CID 118499850
(2S)-2-[(1S)-2-[4-[1-(dimethylamino)propan-2-ylamino]phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
CID 118506248
(2S)-2-[(1S)-2-[4-(2-aminoethylcarbamoyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
CID 118506636

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid?
The IUPAC name of (2R)-2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid (CID 118499935) is (2R)-2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid.
What is the SMILES notation for (2R)-2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid?
The canonical SMILES for (2R)-2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid is CCC[C@@H](C(=O)O)[C@H](Cc1ccccc1)c1nn[nH]n1.
What is the InChIKey of (2R)-2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid?
The InChIKey is KCTDBULZTXFESV-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-6-11(14(19)20)12(13-15-17-18-16-13)9-10-7-4-3-5-8-10/h3-5,7-8,11-12H,2,6,9H2,1H3,(H,19,20)(H,15,16,17,18)/t11-,12+/m1/s1.
What are the key properties of (2R)-2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid?
(2R)-2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid has a molecular weight of 274.32 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid is sourced from PubChem (CID 118499935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).