methyl 2-amino-2-(3-propan-2-ylphenyl)acetate

C12H17NO2 — CID 20824071

IUPACmethyl 2-amino-2-(3-propan-2-ylphenyl)acetate
SMILESCOC(=O)C(N)c1cccc(C(C)C)c1
InChIInChI=1S/C12H17NO2/c1-8(2)9-5-4-6-10(7-9)11(13)12(14)15-3/h4-8,11H,13H2,1-3H3
InChIKeyVEAATCAYGCRQJX-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.98
Rot. Bonds3

About methyl 2-amino-2-(3-propan-2-ylphenyl)acetate

methyl 2-amino-2-(3-propan-2-ylphenyl)acetate (PubChem CID 20824071) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is methyl 2-amino-2-(3-propan-2-ylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(3-propan-2-ylphenyl)acetate
PubChem CID20824071
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namemethyl 2-amino-2-(3-propan-2-ylphenyl)acetate
SMILESCOC(=O)C(N)c1cccc(C(C)C)c1
InChIInChI=1S/C12H17NO2/c1-8(2)9-5-4-6-10(7-9)11(13)12(14)15-3/h4-8,11H,13H2,1-3H3
InChIKeyVEAATCAYGCRQJX-UHFFFAOYSA-N
XLogP1.98
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl (2R)-2-amino-2-(3-phenylphenyl)acetate;hydrochloride
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methyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride
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methyl 2-amino-2-(3-pyridin-4-ylphenyl)acetate
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methyl 2-amino-2-(3-ethoxyphenyl)acetate
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CID 79391945
methyl (2S)-2-amino-2-(3-ethoxyphenyl)acetate;hydrochloride
CID 171205678
methyl 2-[3-(2-methoxy-1-nitroso-2-oxoethyl)phenyl]-2-nitrosoacetate
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methyl (2S)-2-amino-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate
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1-(3-propan-2-ylphenyl)ethanamine
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methyl (2R)-2-amino-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate;hydrochloride
CID 171228220

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(3-propan-2-ylphenyl)acetate?
The IUPAC name of methyl 2-amino-2-(3-propan-2-ylphenyl)acetate (CID 20824071) is methyl 2-amino-2-(3-propan-2-ylphenyl)acetate.
What is the SMILES notation for methyl 2-amino-2-(3-propan-2-ylphenyl)acetate?
The canonical SMILES for methyl 2-amino-2-(3-propan-2-ylphenyl)acetate is COC(=O)C(N)c1cccc(C(C)C)c1.
What is the InChIKey of methyl 2-amino-2-(3-propan-2-ylphenyl)acetate?
The InChIKey is VEAATCAYGCRQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8(2)9-5-4-6-10(7-9)11(13)12(14)15-3/h4-8,11H,13H2,1-3H3.
What are the key properties of methyl 2-amino-2-(3-propan-2-ylphenyl)acetate?
methyl 2-amino-2-(3-propan-2-ylphenyl)acetate has a molecular weight of 207.27 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(3-propan-2-ylphenyl)acetate is sourced from PubChem (CID 20824071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).