methyl 2-(2-phenylpropan-2-ylcarbamoylamino)acetate

C13H18N2O3 — CID 110490508

IUPACmethyl 2-(2-phenylpropan-2-ylcarbamoylamino)acetate
SMILESCOC(=O)CNC(=O)NC(C)(C)c1ccccc1
InChIInChI=1S/C13H18N2O3/c1-13(2,10-7-5-4-6-8-10)15-12(17)14-9-11(16)18-3/h4-8H,9H2,1-3H3,(H2,14,15,17)
InChIKeyLZLRAGJTXHVCNF-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.39
Rot. Bonds4

About methyl 2-(2-phenylpropan-2-ylcarbamoylamino)acetate

methyl 2-(2-phenylpropan-2-ylcarbamoylamino)acetate (PubChem CID 110490508) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl 2-(2-phenylpropan-2-ylcarbamoylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(2-phenylpropan-2-ylcarbamoylamino)acetate
PubChem CID110490508
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namemethyl 2-(2-phenylpropan-2-ylcarbamoylamino)acetate
SMILESCOC(=O)CNC(=O)NC(C)(C)c1ccccc1
InChIInChI=1S/C13H18N2O3/c1-13(2,10-7-5-4-6-8-10)15-12(17)14-9-11(16)18-3/h4-8H,9H2,1-3H3,(H2,14,15,17)
InChIKeyLZLRAGJTXHVCNF-UHFFFAOYSA-N
XLogP1.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-(2-phenylpropan-2-yl)urea
CID 110490506
(2S)-2-hydroxy-3-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid
CID 114264145
2-phenylpropan-2-ylcarbamic acid
CID 23445609
methyl 2-(tritylamino)acetate
CID 637611
2-iodo-N-(2-phenylpropan-2-yl)acetamide
CID 119087378
methyl 5-hydroxy-4-oxo-5,5-diphenylpentanoate
CID 11609089
2-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid
CID 110490509
(2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-phenylacetic acid
CID 104898888
2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid
CID 61181463
methyl 2-(2-phenoxyethylcarbamoylamino)acetate
CID 108887152
1-[2-(4-methoxyphenyl)propan-2-yl]-3-[(2-methylphenyl)methyl]urea
CID 113216413
1-[2-(4-chlorophenyl)propan-2-yl]-3-(2-phenylethyl)urea
CID 113216277

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-phenylpropan-2-ylcarbamoylamino)acetate?
The IUPAC name of methyl 2-(2-phenylpropan-2-ylcarbamoylamino)acetate (CID 110490508) is methyl 2-(2-phenylpropan-2-ylcarbamoylamino)acetate.
What is the SMILES notation for methyl 2-(2-phenylpropan-2-ylcarbamoylamino)acetate?
The canonical SMILES for methyl 2-(2-phenylpropan-2-ylcarbamoylamino)acetate is COC(=O)CNC(=O)NC(C)(C)c1ccccc1.
What is the InChIKey of methyl 2-(2-phenylpropan-2-ylcarbamoylamino)acetate?
The InChIKey is LZLRAGJTXHVCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-13(2,10-7-5-4-6-8-10)15-12(17)14-9-11(16)18-3/h4-8H,9H2,1-3H3,(H2,14,15,17).
What are the key properties of methyl 2-(2-phenylpropan-2-ylcarbamoylamino)acetate?
methyl 2-(2-phenylpropan-2-ylcarbamoylamino)acetate has a molecular weight of 250.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-phenylpropan-2-ylcarbamoylamino)acetate is sourced from PubChem (CID 110490508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).