benzoic acid;tert-butyl 2-amino-2-methylpropanoate

C15H23NO4 — CID 175229994

IUPACbenzoic acid;tert-butyl 2-amino-2-methylpropanoate
SMILESCC(C)(C)OC(=O)C(C)(C)N.O=C(O)c1ccccc1
InChIInChI=1S/C8H17NO2.C7H6O2/c1-7(2,3)11-6(10)8(4,5)9;8-7(9)6-4-2-1-3-5-6/h9H2,1-5H3;1-5H,(H,8,9)
InChIKeyZICDDNLIMPTNTN-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.45
Rot. Bonds2

About benzoic acid;tert-butyl 2-amino-2-methylpropanoate

benzoic acid;tert-butyl 2-amino-2-methylpropanoate (PubChem CID 175229994) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is benzoic acid;tert-butyl 2-amino-2-methylpropanoate.

Molecular Properties

Compound Namebenzoic acid;tert-butyl 2-amino-2-methylpropanoate
PubChem CID175229994
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Namebenzoic acid;tert-butyl 2-amino-2-methylpropanoate
SMILESCC(C)(C)OC(=O)C(C)(C)N.O=C(O)c1ccccc1
InChIInChI=1S/C8H17NO2.C7H6O2/c1-7(2,3)11-6(10)8(4,5)9;8-7(9)6-4-2-1-3-5-6/h9H2,1-5H3;1-5H,(H,8,9)
InChIKeyZICDDNLIMPTNTN-UHFFFAOYSA-N
XLogP2.45
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzoic acid;tert-butyl acetate
CID 143820890
benzoic acid;tert-butyl carbamate;methanethiol
CID 168913847
benzoic acid;methanamine
CID 158244769
CID 162139404
CID 162139404
benzoic acid;methanol
CID 67901482
phenyl 2-amino-2-methylpropanoate
CID 22002021
tert-butyl 2,2,2-triphenylacetate;hydrogen peroxide
CID 174664507
tert-butyl 2-benzoyl-3,3,3-trifluoro-2-methylpropanoate
CID 102326768
tert-butyl 2-amino-3-oxo-2-phenylpropanoate
CID 154963550
CID 87293530
CID 87293530
benzoic acid;λ2-plumbane
CID 174927932
benzoic acid;chromium
CID 139063467

Frequently Asked Questions

What is the IUPAC name of benzoic acid;tert-butyl 2-amino-2-methylpropanoate?
The IUPAC name of benzoic acid;tert-butyl 2-amino-2-methylpropanoate (CID 175229994) is benzoic acid;tert-butyl 2-amino-2-methylpropanoate.
What is the SMILES notation for benzoic acid;tert-butyl 2-amino-2-methylpropanoate?
The canonical SMILES for benzoic acid;tert-butyl 2-amino-2-methylpropanoate is CC(C)(C)OC(=O)C(C)(C)N.O=C(O)c1ccccc1.
What is the InChIKey of benzoic acid;tert-butyl 2-amino-2-methylpropanoate?
The InChIKey is ZICDDNLIMPTNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.C7H6O2/c1-7(2,3)11-6(10)8(4,5)9;8-7(9)6-4-2-1-3-5-6/h9H2,1-5H3;1-5H,(H,8,9).
What are the key properties of benzoic acid;tert-butyl 2-amino-2-methylpropanoate?
benzoic acid;tert-butyl 2-amino-2-methylpropanoate has a molecular weight of 281.35 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;tert-butyl 2-amino-2-methylpropanoate is sourced from PubChem (CID 175229994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).