methyl 2-(4-butan-2-ylphenyl)-2-(cyclopropylamino)acetate

C16H23NO2 — CID 116857339

IUPACmethyl 2-(4-butan-2-ylphenyl)-2-(cyclopropylamino)acetate
SMILESCCC(C)c1ccc(C(NC2CC2)C(=O)OC)cc1
InChIInChI=1S/C16H23NO2/c1-4-11(2)12-5-7-13(8-6-12)15(16(18)19-3)17-14-9-10-14/h5-8,11,14-15,17H,4,9-10H2,1-3H3
InChIKeyIZWCIFDQJNNYGH-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.17
Rot. Bonds6

About methyl 2-(4-butan-2-ylphenyl)-2-(cyclopropylamino)acetate

methyl 2-(4-butan-2-ylphenyl)-2-(cyclopropylamino)acetate (PubChem CID 116857339) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is methyl 2-(4-butan-2-ylphenyl)-2-(cyclopropylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(4-butan-2-ylphenyl)-2-(cyclopropylamino)acetate
PubChem CID116857339
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namemethyl 2-(4-butan-2-ylphenyl)-2-(cyclopropylamino)acetate
SMILESCCC(C)c1ccc(C(NC2CC2)C(=O)OC)cc1
InChIInChI=1S/C16H23NO2/c1-4-11(2)12-5-7-13(8-6-12)15(16(18)19-3)17-14-9-10-14/h5-8,11,14-15,17H,4,9-10H2,1-3H3
InChIKeyIZWCIFDQJNNYGH-UHFFFAOYSA-N
XLogP3.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(cyclopropylamino)-2-pyridin-4-ylacetate
CID 116857371
methyl 2-(cyclopropylamino)-2-(4-phenylphenyl)acetate
CID 60796680
methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192
ethyl 2-(4-tert-butylphenyl)-2-(cyclopropylamino)acetate
CID 60796035
methyl 2-(cyclopropylamino)-2-(3,4,5-trimethoxyphenyl)acetate
CID 60797315
methyl 2-(cyclopropylamino)-2-thiophen-3-ylacetate
CID 60795530
methyl 2-(cyclohexylamino)-2-(4-methylsulfanylphenyl)acetate
CID 60997375
methyl 2-(cyclopropylamino)-2-(3-fluoro-4-hydroxyphenyl)acetate
CID 107690174
4-(4-butan-2-ylphenoxy)-2-(cyclopropylamino)butanamide
CID 107667971
methyl 2-(cyclopropylamino)-2-pyridin-3-ylacetate
CID 60795276
methyl 2-[(4-methylcycloheptyl)amino]-2-phenylacetate
CID 65080240
methyl 2-(cyclopentylamino)-2-(3,4-dimethylphenyl)acetate
CID 54894017

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-butan-2-ylphenyl)-2-(cyclopropylamino)acetate?
The IUPAC name of methyl 2-(4-butan-2-ylphenyl)-2-(cyclopropylamino)acetate (CID 116857339) is methyl 2-(4-butan-2-ylphenyl)-2-(cyclopropylamino)acetate.
What is the SMILES notation for methyl 2-(4-butan-2-ylphenyl)-2-(cyclopropylamino)acetate?
The canonical SMILES for methyl 2-(4-butan-2-ylphenyl)-2-(cyclopropylamino)acetate is CCC(C)c1ccc(C(NC2CC2)C(=O)OC)cc1.
What is the InChIKey of methyl 2-(4-butan-2-ylphenyl)-2-(cyclopropylamino)acetate?
The InChIKey is IZWCIFDQJNNYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-11(2)12-5-7-13(8-6-12)15(16(18)19-3)17-14-9-10-14/h5-8,11,14-15,17H,4,9-10H2,1-3H3.
What are the key properties of methyl 2-(4-butan-2-ylphenyl)-2-(cyclopropylamino)acetate?
methyl 2-(4-butan-2-ylphenyl)-2-(cyclopropylamino)acetate has a molecular weight of 261.37 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-butan-2-ylphenyl)-2-(cyclopropylamino)acetate is sourced from PubChem (CID 116857339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).