propan-2-yl (2R)-2-amino-2-[3-fluoro-4-(tetrazol-1-yl)phenyl]-4,4-dimethylpentanoate

C17H24FN5O2 — CID 138552553

IUPACpropan-2-yl (2R)-2-amino-2-[3-fluoro-4-(tetrazol-1-yl)phenyl]-4,4-dimethylpentanoate
SMILESCC(C)OC(=O)[C@@](N)(CC(C)(C)C)c1ccc(-n2cnnn2)c(F)c1
InChIInChI=1S/C17H24FN5O2/c1-11(2)25-15(24)17(19,9-16(3,4)5)12-6-7-14(13(18)8-12)23-10-20-21-22-23/h6-8,10-11H,9,19H2,1-5H3/t17-/m1/s1
InChIKeyARQRTTRLZZCZRJ-QGZVFWFLSA-N
MW349.41 g/mol
LogP2.34
Rot. Bonds5

About propan-2-yl (2R)-2-amino-2-[3-fluoro-4-(tetrazol-1-yl)phenyl]-4,4-dimethylpentanoate

propan-2-yl (2R)-2-amino-2-[3-fluoro-4-(tetrazol-1-yl)phenyl]-4,4-dimethylpentanoate (PubChem CID 138552553) has the molecular formula C17H24FN5O2 and a molecular weight of 349.41 g/mol. Its IUPAC name is propan-2-yl (2R)-2-amino-2-[3-fluoro-4-(tetrazol-1-yl)phenyl]-4,4-dimethylpentanoate.

Molecular Properties

Compound Namepropan-2-yl (2R)-2-amino-2-[3-fluoro-4-(tetrazol-1-yl)phenyl]-4,4-dimethylpentanoate
PubChem CID138552553
Molecular FormulaC17H24FN5O2
Molecular Weight349.41 g/mol
Exact Mass349.19
IUPAC Namepropan-2-yl (2R)-2-amino-2-[3-fluoro-4-(tetrazol-1-yl)phenyl]-4,4-dimethylpentanoate
SMILESCC(C)OC(=O)[C@@](N)(CC(C)(C)C)c1ccc(-n2cnnn2)c(F)c1
InChIInChI=1S/C17H24FN5O2/c1-11(2)25-15(24)17(19,9-16(3,4)5)12-6-7-14(13(18)8-12)23-10-20-21-22-23/h6-8,10-11H,9,19H2,1-5H3/t17-/m1/s1
InChIKeyARQRTTRLZZCZRJ-QGZVFWFLSA-N
XLogP2.34
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze propan-2-yl (2R)-2-amino-2-[3-fluoro-4-(tetrazol-1-yl)phenyl]-4,4-dimethylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R)-2-amino-2-[3-fluoro-4-(tetrazol-1-yl)phenyl]-4,4-dimethylpentanoate?
The IUPAC name of propan-2-yl (2R)-2-amino-2-[3-fluoro-4-(tetrazol-1-yl)phenyl]-4,4-dimethylpentanoate (CID 138552553) is propan-2-yl (2R)-2-amino-2-[3-fluoro-4-(tetrazol-1-yl)phenyl]-4,4-dimethylpentanoate.
What is the SMILES notation for propan-2-yl (2R)-2-amino-2-[3-fluoro-4-(tetrazol-1-yl)phenyl]-4,4-dimethylpentanoate?
The canonical SMILES for propan-2-yl (2R)-2-amino-2-[3-fluoro-4-(tetrazol-1-yl)phenyl]-4,4-dimethylpentanoate is CC(C)OC(=O)[C@@](N)(CC(C)(C)C)c1ccc(-n2cnnn2)c(F)c1.
What is the InChIKey of propan-2-yl (2R)-2-amino-2-[3-fluoro-4-(tetrazol-1-yl)phenyl]-4,4-dimethylpentanoate?
The InChIKey is ARQRTTRLZZCZRJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H24FN5O2/c1-11(2)25-15(24)17(19,9-16(3,4)5)12-6-7-14(13(18)8-12)23-10-20-21-22-23/h6-8,10-11H,9,19H2,1-5H3/t17-/m1/s1.
What are the key properties of propan-2-yl (2R)-2-amino-2-[3-fluoro-4-(tetrazol-1-yl)phenyl]-4,4-dimethylpentanoate?
propan-2-yl (2R)-2-amino-2-[3-fluoro-4-(tetrazol-1-yl)phenyl]-4,4-dimethylpentanoate has a molecular weight of 349.41 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R)-2-amino-2-[3-fluoro-4-(tetrazol-1-yl)phenyl]-4,4-dimethylpentanoate is sourced from PubChem (CID 138552553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).