phenyl 2-amino-2-methylpropanoate

C10H13NO2 — CID 22002021

IUPACphenyl 2-amino-2-methylpropanoate
SMILESCC(C)(N)C(=O)Oc1ccccc1
InChIInChI=1S/C10H13NO2/c1-10(2,11)9(12)13-8-6-4-3-5-7-8/h3-7H,11H2,1-2H3
InChIKeyBTRBTFZELAQTJS-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.33
Rot. Bonds2

About phenyl 2-amino-2-methylpropanoate

phenyl 2-amino-2-methylpropanoate (PubChem CID 22002021) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is phenyl 2-amino-2-methylpropanoate.

Molecular Properties

Compound Namephenyl 2-amino-2-methylpropanoate
PubChem CID22002021
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Namephenyl 2-amino-2-methylpropanoate
SMILESCC(C)(N)C(=O)Oc1ccccc1
InChIInChI=1S/C10H13NO2/c1-10(2,11)9(12)13-8-6-4-3-5-7-8/h3-7H,11H2,1-2H3
InChIKeyBTRBTFZELAQTJS-UHFFFAOYSA-N
XLogP1.33
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

phenyl (2R)-2-amino-2-phenylpropanoate
CID 142678159
phenyl 2-amino-2,2-diphenylacetate
CID 142678162
carbonochloridic acid;phenyl 2,2-dimethylpropanoate
CID 174754992
diphenyl 2-methyl-2-methylsulfonylpropanedioate
CID 44634248
phenyl 2,2,4-trimethyl-3-oxopentanoate
CID 11310865
phenyl 2,2-difluoro-2-methylsulfanylacetate
CID 101183893
(3,4-dichlorophenyl) 2-amino-2-methylpropanoate
CID 90947932
phenyl 2-chloro-3-hydroxy-2-methyl-3-phenylbutanoate
CID 10638257
phenyl 2-cyano-2-methoxypropanoate
CID 139826824
benzoic acid;tert-butyl 2-amino-2-methylpropanoate
CID 175229994
phenyl 2-fluoro-3,3-dimethylbutanoate
CID 139826816
diphenyl oxalate;ethane
CID 162013592

Frequently Asked Questions

What is the IUPAC name of phenyl 2-amino-2-methylpropanoate?
The IUPAC name of phenyl 2-amino-2-methylpropanoate (CID 22002021) is phenyl 2-amino-2-methylpropanoate.
What is the SMILES notation for phenyl 2-amino-2-methylpropanoate?
The canonical SMILES for phenyl 2-amino-2-methylpropanoate is CC(C)(N)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 2-amino-2-methylpropanoate?
The InChIKey is BTRBTFZELAQTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-10(2,11)9(12)13-8-6-4-3-5-7-8/h3-7H,11H2,1-2H3.
What are the key properties of phenyl 2-amino-2-methylpropanoate?
phenyl 2-amino-2-methylpropanoate has a molecular weight of 179.22 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-amino-2-methylpropanoate is sourced from PubChem (CID 22002021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).