methyl 2-(3-propan-2-ylanilino)acetate

C12H17NO2 — CID 20824069

IUPACmethyl 2-(3-propan-2-ylanilino)acetate
SMILESCOC(=O)CNc1cccc(C(C)C)c1
InChIInChI=1S/C12H17NO2/c1-9(2)10-5-4-6-11(7-10)13-8-12(14)15-3/h4-7,9,13H,8H2,1-3H3
InChIKeyNUXQUFNUJUCEBE-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.39
Rot. Bonds4

About methyl 2-(3-propan-2-ylanilino)acetate

methyl 2-(3-propan-2-ylanilino)acetate (PubChem CID 20824069) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is methyl 2-(3-propan-2-ylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(3-propan-2-ylanilino)acetate
PubChem CID20824069
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namemethyl 2-(3-propan-2-ylanilino)acetate
SMILESCOC(=O)CNc1cccc(C(C)C)c1
InChIInChI=1S/C12H17NO2/c1-9(2)10-5-4-6-11(7-10)13-8-12(14)15-3/h4-7,9,13H,8H2,1-3H3
InChIKeyNUXQUFNUJUCEBE-UHFFFAOYSA-N
XLogP2.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-(3-propan-2-ylanilino)acetamide
CID 28837936
methyl 2-(3-propan-2-yloxyanilino)acetate
CID 19829935
methyl 3-[(2-methoxy-2-oxoethyl)amino]benzoate
CID 22080521
methyl 2-(3-iodoanilino)acetate
CID 19829858
N-benzyl-2-(3-propan-2-ylanilino)acetamide
CID 28829787
2-(3-propan-2-ylanilino)ethanol
CID 28973580
methyl 3-[[amino-(3-propan-2-ylanilino)methylidene]amino]propanoate
CID 111063925
methyl 2-methyl-3-(3-propan-2-ylanilino)butanoate
CID 79391945
ethyl 2-[(3-propan-2-ylphenyl)carbamoylamino]acetate
CID 43385028
N-(methylsulfanylmethyl)-3-propan-2-ylaniline
CID 139386106
propan-2-yl N-(3-propan-2-ylphenyl)carbamate
CID 15649383
1-chloro-3-(3-propan-2-ylanilino)propan-2-ol
CID 168640793

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-propan-2-ylanilino)acetate?
The IUPAC name of methyl 2-(3-propan-2-ylanilino)acetate (CID 20824069) is methyl 2-(3-propan-2-ylanilino)acetate.
What is the SMILES notation for methyl 2-(3-propan-2-ylanilino)acetate?
The canonical SMILES for methyl 2-(3-propan-2-ylanilino)acetate is COC(=O)CNc1cccc(C(C)C)c1.
What is the InChIKey of methyl 2-(3-propan-2-ylanilino)acetate?
The InChIKey is NUXQUFNUJUCEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(2)10-5-4-6-11(7-10)13-8-12(14)15-3/h4-7,9,13H,8H2,1-3H3.
What are the key properties of methyl 2-(3-propan-2-ylanilino)acetate?
methyl 2-(3-propan-2-ylanilino)acetate has a molecular weight of 207.27 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-propan-2-ylanilino)acetate is sourced from PubChem (CID 20824069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).