methyl 2-phenyl-2-(propan-2-yloxycarbonylamino)acetate

C13H17NO4 — CID 62115268

IUPACmethyl 2-phenyl-2-(propan-2-yloxycarbonylamino)acetate
SMILESCOC(=O)C(NC(=O)OC(C)C)c1ccccc1
InChIInChI=1S/C13H17NO4/c1-9(2)18-13(16)14-11(12(15)17-3)10-7-5-4-6-8-10/h4-9,11H,1-3H3,(H,14,16)
InChIKeyWVNNDZOTUKZEHW-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.04
Rot. Bonds4

About methyl 2-phenyl-2-(propan-2-yloxycarbonylamino)acetate

methyl 2-phenyl-2-(propan-2-yloxycarbonylamino)acetate (PubChem CID 62115268) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is methyl 2-phenyl-2-(propan-2-yloxycarbonylamino)acetate.

Molecular Properties

Compound Namemethyl 2-phenyl-2-(propan-2-yloxycarbonylamino)acetate
PubChem CID62115268
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Namemethyl 2-phenyl-2-(propan-2-yloxycarbonylamino)acetate
SMILESCOC(=O)C(NC(=O)OC(C)C)c1ccccc1
InChIInChI=1S/C13H17NO4/c1-9(2)18-13(16)14-11(12(15)17-3)10-7-5-4-6-8-10/h4-9,11H,1-3H3,(H,14,16)
InChIKeyWVNNDZOTUKZEHW-UHFFFAOYSA-N
XLogP2.04
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-phenyl-2-(propan-2-yloxycarbonylamino)acetic acid
CID 104897066
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
methyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate
CID 26791246
3-[(2-methoxy-2-oxo-1-phenylethyl)amino]butanoic acid
CID 55036497
methyl 2-(3-methylpentanoylamino)-2-phenylacetate
CID 85168075
methyl 2-phenyl-2-(2,2,2-trifluoroethoxycarbonylamino)acetate
CID 65173497
methyl 2-[(3-amino-2-methylpropanoyl)amino]-2-phenylacetate
CID 62668946
methyl 2-[[2-(methylamino)acetyl]amino]-2-phenylacetate
CID 23654473
methyl (2R)-2-[[(2S)-2-hydroxy-4-methylpentanoyl]amino]-2-phenylacetate
CID 10660316
methyl 2-(2-methylsulfonylpropanoylamino)-2-phenylacetate
CID 115624418
methyl 2-[2-(azetidin-3-yl)propanoylamino]-2-phenylacetate
CID 116677618
methyl 2-(tert-butylcarbamoylamino)-2-phenylacetate
CID 62115093

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-2-(propan-2-yloxycarbonylamino)acetate?
The IUPAC name of methyl 2-phenyl-2-(propan-2-yloxycarbonylamino)acetate (CID 62115268) is methyl 2-phenyl-2-(propan-2-yloxycarbonylamino)acetate.
What is the SMILES notation for methyl 2-phenyl-2-(propan-2-yloxycarbonylamino)acetate?
The canonical SMILES for methyl 2-phenyl-2-(propan-2-yloxycarbonylamino)acetate is COC(=O)C(NC(=O)OC(C)C)c1ccccc1.
What is the InChIKey of methyl 2-phenyl-2-(propan-2-yloxycarbonylamino)acetate?
The InChIKey is WVNNDZOTUKZEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-9(2)18-13(16)14-11(12(15)17-3)10-7-5-4-6-8-10/h4-9,11H,1-3H3,(H,14,16).
What are the key properties of methyl 2-phenyl-2-(propan-2-yloxycarbonylamino)acetate?
methyl 2-phenyl-2-(propan-2-yloxycarbonylamino)acetate has a molecular weight of 251.28 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-2-(propan-2-yloxycarbonylamino)acetate is sourced from PubChem (CID 62115268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).