methyl 2-(tert-butylcarbamoylamino)-2-phenylacetate

C14H20N2O3 — CID 62115093

IUPACmethyl 2-(tert-butylcarbamoylamino)-2-phenylacetate
SMILESCOC(=O)C(NC(=O)NC(C)(C)C)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)16-13(18)15-11(12(17)19-4)10-8-6-5-7-9-10/h5-9,11H,1-4H3,(H2,15,16,18)
InChIKeyOSMAVKXWXYAIJI-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.00
Rot. Bonds3

About methyl 2-(tert-butylcarbamoylamino)-2-phenylacetate

methyl 2-(tert-butylcarbamoylamino)-2-phenylacetate (PubChem CID 62115093) has the molecular formula C14H20N2O3 and a molecular weight of 264.33 g/mol. Its IUPAC name is methyl 2-(tert-butylcarbamoylamino)-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(tert-butylcarbamoylamino)-2-phenylacetate
PubChem CID62115093
Molecular FormulaC14H20N2O3
Molecular Weight264.33 g/mol
Exact Mass264.15
IUPAC Namemethyl 2-(tert-butylcarbamoylamino)-2-phenylacetate
SMILESCOC(=O)C(NC(=O)NC(C)(C)C)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)16-13(18)15-11(12(17)19-4)10-8-6-5-7-9-10/h5-9,11H,1-4H3,(H2,15,16,18)
InChIKeyOSMAVKXWXYAIJI-UHFFFAOYSA-N
XLogP2.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
methyl (2R)-2-[[(2S)-2-hydroxy-2-methylbutanoyl]amino]-2-phenylacetate
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methyl (2S)-2-(cyclopropylcarbamoylamino)-2-phenylacetate
CID 71308112
methyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate
CID 26791246
1-(2-amino-1-phenylethyl)-3-tert-butylurea
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4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300204
methyl 2-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2-phenylacetate
CID 79793300
(2S)-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]-2-phenylacetic acid
CID 104899136
(3R)-3-(tert-butylcarbamoylamino)-3-phenylpropanoic acid
CID 28785757
methyl 2-[[2-(methylamino)acetyl]amino]-2-phenylacetate
CID 23654473
methyl 2-phenyl-2-(propan-2-yloxycarbonylamino)acetate
CID 62115268
methyl 2-[2-(tert-butylamino)ethylamino]-2-phenylacetate
CID 107445566

Frequently Asked Questions

What is the IUPAC name of methyl 2-(tert-butylcarbamoylamino)-2-phenylacetate?
The IUPAC name of methyl 2-(tert-butylcarbamoylamino)-2-phenylacetate (CID 62115093) is methyl 2-(tert-butylcarbamoylamino)-2-phenylacetate.
What is the SMILES notation for methyl 2-(tert-butylcarbamoylamino)-2-phenylacetate?
The canonical SMILES for methyl 2-(tert-butylcarbamoylamino)-2-phenylacetate is COC(=O)C(NC(=O)NC(C)(C)C)c1ccccc1.
What is the InChIKey of methyl 2-(tert-butylcarbamoylamino)-2-phenylacetate?
The InChIKey is OSMAVKXWXYAIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,3)16-13(18)15-11(12(17)19-4)10-8-6-5-7-9-10/h5-9,11H,1-4H3,(H2,15,16,18).
What are the key properties of methyl 2-(tert-butylcarbamoylamino)-2-phenylacetate?
methyl 2-(tert-butylcarbamoylamino)-2-phenylacetate has a molecular weight of 264.33 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(tert-butylcarbamoylamino)-2-phenylacetate is sourced from PubChem (CID 62115093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).