propan-2-yl 2-amino-2-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]-4,4-dimethylpentanoate

C17H27N5O2 — CID 138552478

IUPACpropan-2-yl 2-amino-2-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]-4,4-dimethylpentanoate
SMILESCC(C)OC(=O)C(N)(CC(C)(C)C)c1ccc(C2=NNNN2)cc1
InChIInChI=1S/C17H27N5O2/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/h6-9,11,21-22H,10,18H2,1-5H3,(H,19,20)
InChIKeyFWXJXJBEXIHZGG-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.50
Rot. Bonds5

About propan-2-yl 2-amino-2-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]-4,4-dimethylpentanoate

propan-2-yl 2-amino-2-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]-4,4-dimethylpentanoate (PubChem CID 138552478) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is propan-2-yl 2-amino-2-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]-4,4-dimethylpentanoate.

Molecular Properties

Compound Namepropan-2-yl 2-amino-2-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]-4,4-dimethylpentanoate
PubChem CID138552478
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Namepropan-2-yl 2-amino-2-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]-4,4-dimethylpentanoate
SMILESCC(C)OC(=O)C(N)(CC(C)(C)C)c1ccc(C2=NNNN2)cc1
InChIInChI=1S/C17H27N5O2/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/h6-9,11,21-22H,10,18H2,1-5H3,(H,19,20)
InChIKeyFWXJXJBEXIHZGG-UHFFFAOYSA-N
XLogP1.50
TPSA100.77 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-amino-2-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]-4,4-dimethylpentanoate?
The IUPAC name of propan-2-yl 2-amino-2-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]-4,4-dimethylpentanoate (CID 138552478) is propan-2-yl 2-amino-2-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]-4,4-dimethylpentanoate.
What is the SMILES notation for propan-2-yl 2-amino-2-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]-4,4-dimethylpentanoate?
The canonical SMILES for propan-2-yl 2-amino-2-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]-4,4-dimethylpentanoate is CC(C)OC(=O)C(N)(CC(C)(C)C)c1ccc(C2=NNNN2)cc1.
What is the InChIKey of propan-2-yl 2-amino-2-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]-4,4-dimethylpentanoate?
The InChIKey is FWXJXJBEXIHZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/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/h6-9,11,21-22H,10,18H2,1-5H3,(H,19,20).
What are the key properties of propan-2-yl 2-amino-2-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]-4,4-dimethylpentanoate?
propan-2-yl 2-amino-2-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]-4,4-dimethylpentanoate has a molecular weight of 333.44 g/mol, XLogP of 1.50, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-amino-2-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]-4,4-dimethylpentanoate is sourced from PubChem (CID 138552478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).