(2R)-2-[2-(6-amino-3-pyridinyl)-1-(2H-tetrazol-5-yl)ethyl]-3,3-dimethylbutanoic acid

C14H20N6O2 — CID 129264647

IUPAC(2R)-2-[2-(6-amino-3-pyridinyl)-1-(2H-tetrazol-5-yl)ethyl]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@H](C(=O)O)C(Cc1ccc(N)nc1)c1nn[nH]n1
InChIInChI=1S/C14H20N6O2/c1-14(2,3)11(13(21)22)9(12-17-19-20-18-12)6-8-4-5-10(15)16-7-8/h4-5,7,9,11H,6H2,1-3H3,(H2,15,16)(H,21,22)(H,17,18,19,20)/t9?,11-/m0/s1
InChIKeyLPDJDXYCGBITRK-UMJHXOGRSA-N
MW304.35 g/mol
LogP1.25
Rot. Bonds5

About (2R)-2-[2-(6-amino-3-pyridinyl)-1-(2H-tetrazol-5-yl)ethyl]-3,3-dimethylbutanoic acid

(2R)-2-[2-(6-amino-3-pyridinyl)-1-(2H-tetrazol-5-yl)ethyl]-3,3-dimethylbutanoic acid (PubChem CID 129264647) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is (2R)-2-[2-(6-amino-3-pyridinyl)-1-(2H-tetrazol-5-yl)ethyl]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-(6-amino-3-pyridinyl)-1-(2H-tetrazol-5-yl)ethyl]-3,3-dimethylbutanoic acid
PubChem CID129264647
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name(2R)-2-[2-(6-amino-3-pyridinyl)-1-(2H-tetrazol-5-yl)ethyl]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@H](C(=O)O)C(Cc1ccc(N)nc1)c1nn[nH]n1
InChIInChI=1S/C14H20N6O2/c1-14(2,3)11(13(21)22)9(12-17-19-20-18-12)6-8-4-5-10(15)16-7-8/h4-5,7,9,11H,6H2,1-3H3,(H2,15,16)(H,21,22)(H,17,18,19,20)/t9?,11-/m0/s1
InChIKeyLPDJDXYCGBITRK-UMJHXOGRSA-N
XLogP1.25
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(6-amino-3-pyridinyl)-1-(2H-tetrazol-5-yl)ethyl]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[2-(6-amino-3-pyridinyl)-1-(2H-tetrazol-5-yl)ethyl]-3,3-dimethylbutanoic acid (CID 129264647) is (2R)-2-[2-(6-amino-3-pyridinyl)-1-(2H-tetrazol-5-yl)ethyl]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[2-(6-amino-3-pyridinyl)-1-(2H-tetrazol-5-yl)ethyl]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[2-(6-amino-3-pyridinyl)-1-(2H-tetrazol-5-yl)ethyl]-3,3-dimethylbutanoic acid is CC(C)(C)[C@H](C(=O)O)C(Cc1ccc(N)nc1)c1nn[nH]n1.
What is the InChIKey of (2R)-2-[2-(6-amino-3-pyridinyl)-1-(2H-tetrazol-5-yl)ethyl]-3,3-dimethylbutanoic acid?
The InChIKey is LPDJDXYCGBITRK-UMJHXOGRSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-14(2,3)11(13(21)22)9(12-17-19-20-18-12)6-8-4-5-10(15)16-7-8/h4-5,7,9,11H,6H2,1-3H3,(H2,15,16)(H,21,22)(H,17,18,19,20)/t9?,11-/m0/s1.
What are the key properties of (2R)-2-[2-(6-amino-3-pyridinyl)-1-(2H-tetrazol-5-yl)ethyl]-3,3-dimethylbutanoic acid?
(2R)-2-[2-(6-amino-3-pyridinyl)-1-(2H-tetrazol-5-yl)ethyl]-3,3-dimethylbutanoic acid has a molecular weight of 304.35 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(6-amino-3-pyridinyl)-1-(2H-tetrazol-5-yl)ethyl]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 129264647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).