2-amino-4,4-dimethyl-2-[4-(2H-tetrazol-5-yl)phenyl]pentanoic acid

C14H19N5O2 — CID 138544870

IUPAC2-amino-4,4-dimethyl-2-[4-(2H-tetrazol-5-yl)phenyl]pentanoic acid
SMILESCC(C)(C)CC(N)(C(=O)O)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C14H19N5O2/c1-13(2,3)8-14(15,12(20)21)10-6-4-9(5-7-10)11-16-18-19-17-11/h4-7H,8,15H2,1-3H3,(H,20,21)(H,16,17,18,19)
InChIKeyZBSAZGFUWXTBTN-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.54
Rot. Bonds4

About 2-amino-4,4-dimethyl-2-[4-(2H-tetrazol-5-yl)phenyl]pentanoic acid

2-amino-4,4-dimethyl-2-[4-(2H-tetrazol-5-yl)phenyl]pentanoic acid (PubChem CID 138544870) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-amino-4,4-dimethyl-2-[4-(2H-tetrazol-5-yl)phenyl]pentanoic acid.

Molecular Properties

Compound Name2-amino-4,4-dimethyl-2-[4-(2H-tetrazol-5-yl)phenyl]pentanoic acid
PubChem CID138544870
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-amino-4,4-dimethyl-2-[4-(2H-tetrazol-5-yl)phenyl]pentanoic acid
SMILESCC(C)(C)CC(N)(C(=O)O)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C14H19N5O2/c1-13(2,3)8-14(15,12(20)21)10-6-4-9(5-7-10)11-16-18-19-17-11/h4-7H,8,15H2,1-3H3,(H,20,21)(H,16,17,18,19)
InChIKeyZBSAZGFUWXTBTN-UHFFFAOYSA-N
XLogP1.54
TPSA117.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,4-dimethyl-2-[4-(2H-tetrazol-5-yl)phenyl]pentanoic acid?
The IUPAC name of 2-amino-4,4-dimethyl-2-[4-(2H-tetrazol-5-yl)phenyl]pentanoic acid (CID 138544870) is 2-amino-4,4-dimethyl-2-[4-(2H-tetrazol-5-yl)phenyl]pentanoic acid.
What is the SMILES notation for 2-amino-4,4-dimethyl-2-[4-(2H-tetrazol-5-yl)phenyl]pentanoic acid?
The canonical SMILES for 2-amino-4,4-dimethyl-2-[4-(2H-tetrazol-5-yl)phenyl]pentanoic acid is CC(C)(C)CC(N)(C(=O)O)c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 2-amino-4,4-dimethyl-2-[4-(2H-tetrazol-5-yl)phenyl]pentanoic acid?
The InChIKey is ZBSAZGFUWXTBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-13(2,3)8-14(15,12(20)21)10-6-4-9(5-7-10)11-16-18-19-17-11/h4-7H,8,15H2,1-3H3,(H,20,21)(H,16,17,18,19).
What are the key properties of 2-amino-4,4-dimethyl-2-[4-(2H-tetrazol-5-yl)phenyl]pentanoic acid?
2-amino-4,4-dimethyl-2-[4-(2H-tetrazol-5-yl)phenyl]pentanoic acid has a molecular weight of 289.34 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,4-dimethyl-2-[4-(2H-tetrazol-5-yl)phenyl]pentanoic acid is sourced from PubChem (CID 138544870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).