propan-2-yl 2-amino-4,4-dimethyl-2-[4-(1-methyltetrazol-5-yl)phenyl]pentanoate

C18H27N5O2 — CID 138552481

IUPACpropan-2-yl 2-amino-4,4-dimethyl-2-[4-(1-methyltetrazol-5-yl)phenyl]pentanoate
SMILESCC(C)OC(=O)C(N)(CC(C)(C)C)c1ccc(-c2nnnn2C)cc1
InChIInChI=1S/C18H27N5O2/c1-12(2)25-16(24)18(19,11-17(3,4)5)14-9-7-13(8-10-14)15-20-21-22-23(15)6/h7-10,12H,11,19H2,1-6H3
InChIKeyHHTURBOUSJLBSC-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.42
Rot. Bonds5

About propan-2-yl 2-amino-4,4-dimethyl-2-[4-(1-methyltetrazol-5-yl)phenyl]pentanoate

propan-2-yl 2-amino-4,4-dimethyl-2-[4-(1-methyltetrazol-5-yl)phenyl]pentanoate (PubChem CID 138552481) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is propan-2-yl 2-amino-4,4-dimethyl-2-[4-(1-methyltetrazol-5-yl)phenyl]pentanoate.

Molecular Properties

Compound Namepropan-2-yl 2-amino-4,4-dimethyl-2-[4-(1-methyltetrazol-5-yl)phenyl]pentanoate
PubChem CID138552481
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Namepropan-2-yl 2-amino-4,4-dimethyl-2-[4-(1-methyltetrazol-5-yl)phenyl]pentanoate
SMILESCC(C)OC(=O)C(N)(CC(C)(C)C)c1ccc(-c2nnnn2C)cc1
InChIInChI=1S/C18H27N5O2/c1-12(2)25-16(24)18(19,11-17(3,4)5)14-9-7-13(8-10-14)15-20-21-22-23(15)6/h7-10,12H,11,19H2,1-6H3
InChIKeyHHTURBOUSJLBSC-UHFFFAOYSA-N
XLogP2.42
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-amino-4,4-dimethyl-2-[4-(1-methyltetrazol-5-yl)phenyl]pentanoate?
The IUPAC name of propan-2-yl 2-amino-4,4-dimethyl-2-[4-(1-methyltetrazol-5-yl)phenyl]pentanoate (CID 138552481) is propan-2-yl 2-amino-4,4-dimethyl-2-[4-(1-methyltetrazol-5-yl)phenyl]pentanoate.
What is the SMILES notation for propan-2-yl 2-amino-4,4-dimethyl-2-[4-(1-methyltetrazol-5-yl)phenyl]pentanoate?
The canonical SMILES for propan-2-yl 2-amino-4,4-dimethyl-2-[4-(1-methyltetrazol-5-yl)phenyl]pentanoate is CC(C)OC(=O)C(N)(CC(C)(C)C)c1ccc(-c2nnnn2C)cc1.
What is the InChIKey of propan-2-yl 2-amino-4,4-dimethyl-2-[4-(1-methyltetrazol-5-yl)phenyl]pentanoate?
The InChIKey is HHTURBOUSJLBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-12(2)25-16(24)18(19,11-17(3,4)5)14-9-7-13(8-10-14)15-20-21-22-23(15)6/h7-10,12H,11,19H2,1-6H3.
What are the key properties of propan-2-yl 2-amino-4,4-dimethyl-2-[4-(1-methyltetrazol-5-yl)phenyl]pentanoate?
propan-2-yl 2-amino-4,4-dimethyl-2-[4-(1-methyltetrazol-5-yl)phenyl]pentanoate has a molecular weight of 345.45 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-amino-4,4-dimethyl-2-[4-(1-methyltetrazol-5-yl)phenyl]pentanoate is sourced from PubChem (CID 138552481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).