propan-2-yl 2-amino-4,4-dimethyl-2-[4-(2H-tetrazol-5-yl)phenyl]pentanoate

C17H25N5O2 — CID 138552208

IUPACpropan-2-yl 2-amino-4,4-dimethyl-2-[4-(2H-tetrazol-5-yl)phenyl]pentanoate
SMILESCC(C)OC(=O)C(N)(CC(C)(C)C)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C17H25N5O2/c1-11(2)24-15(23)17(18,10-16(3,4)5)13-8-6-12(7-9-13)14-19-21-22-20-14/h6-9,11H,10,18H2,1-5H3,(H,19,20,21,22)
InChIKeyIWTVJUBSPQERBD-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.41
Rot. Bonds5

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

propan-2-yl 2-amino-4,4-dimethyl-2-[4-(2H-tetrazol-5-yl)phenyl]pentanoate (PubChem CID 138552208) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is propan-2-yl 2-amino-4,4-dimethyl-2-[4-(2H-tetrazol-5-yl)phenyl]pentanoate.

Molecular Properties

Compound Namepropan-2-yl 2-amino-4,4-dimethyl-2-[4-(2H-tetrazol-5-yl)phenyl]pentanoate
PubChem CID138552208
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Namepropan-2-yl 2-amino-4,4-dimethyl-2-[4-(2H-tetrazol-5-yl)phenyl]pentanoate
SMILESCC(C)OC(=O)C(N)(CC(C)(C)C)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C17H25N5O2/c1-11(2)24-15(23)17(18,10-16(3,4)5)13-8-6-12(7-9-13)14-19-21-22-20-14/h6-9,11H,10,18H2,1-5H3,(H,19,20,21,22)
InChIKeyIWTVJUBSPQERBD-UHFFFAOYSA-N
XLogP2.41
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-amino-4,4-dimethyl-2-[4-(2H-tetrazol-5-yl)phenyl]pentanoate?
The IUPAC name of propan-2-yl 2-amino-4,4-dimethyl-2-[4-(2H-tetrazol-5-yl)phenyl]pentanoate (CID 138552208) is propan-2-yl 2-amino-4,4-dimethyl-2-[4-(2H-tetrazol-5-yl)phenyl]pentanoate.
What is the SMILES notation for propan-2-yl 2-amino-4,4-dimethyl-2-[4-(2H-tetrazol-5-yl)phenyl]pentanoate?
The canonical SMILES for propan-2-yl 2-amino-4,4-dimethyl-2-[4-(2H-tetrazol-5-yl)phenyl]pentanoate is CC(C)OC(=O)C(N)(CC(C)(C)C)c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of propan-2-yl 2-amino-4,4-dimethyl-2-[4-(2H-tetrazol-5-yl)phenyl]pentanoate?
The InChIKey is IWTVJUBSPQERBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-11(2)24-15(23)17(18,10-16(3,4)5)13-8-6-12(7-9-13)14-19-21-22-20-14/h6-9,11H,10,18H2,1-5H3,(H,19,20,21,22).
What are the key properties of propan-2-yl 2-amino-4,4-dimethyl-2-[4-(2H-tetrazol-5-yl)phenyl]pentanoate?
propan-2-yl 2-amino-4,4-dimethyl-2-[4-(2H-tetrazol-5-yl)phenyl]pentanoate has a molecular weight of 331.42 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-amino-4,4-dimethyl-2-[4-(2H-tetrazol-5-yl)phenyl]pentanoate is sourced from PubChem (CID 138552208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).