tert-butyl 2-(3-amino-2-oxopyrrolidin-1-yl)-2-phenylacetate

C16H22N2O3 — CID 75511205

IUPACtert-butyl 2-(3-amino-2-oxopyrrolidin-1-yl)-2-phenylacetate
SMILESCC(C)(C)OC(=O)C(c1ccccc1)N1CCC(N)C1=O
InChIInChI=1S/C16H22N2O3/c1-16(2,3)21-15(20)13(11-7-5-4-6-8-11)18-10-9-12(17)14(18)19/h4-8,12-13H,9-10,17H2,1-3H3
InChIKeyXDUUTRYCHAVIAF-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.63
Rot. Bonds3

About tert-butyl 2-(3-amino-2-oxopyrrolidin-1-yl)-2-phenylacetate

tert-butyl 2-(3-amino-2-oxopyrrolidin-1-yl)-2-phenylacetate (PubChem CID 75511205) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is tert-butyl 2-(3-amino-2-oxopyrrolidin-1-yl)-2-phenylacetate.

Molecular Properties

Compound Nametert-butyl 2-(3-amino-2-oxopyrrolidin-1-yl)-2-phenylacetate
PubChem CID75511205
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nametert-butyl 2-(3-amino-2-oxopyrrolidin-1-yl)-2-phenylacetate
SMILESCC(C)(C)OC(=O)C(c1ccccc1)N1CCC(N)C1=O
InChIInChI=1S/C16H22N2O3/c1-16(2,3)21-15(20)13(11-7-5-4-6-8-11)18-10-9-12(17)14(18)19/h4-8,12-13H,9-10,17H2,1-3H3
InChIKeyXDUUTRYCHAVIAF-UHFFFAOYSA-N
XLogP1.63
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[3-[3-(2-methoxyethoxy)propanoylamino]-2-oxopyrrolidin-1-yl]-2-phenylacetate
CID 86819153
tert-butyl 2-phenyl-2-piperidin-1-ylacetate;hydrochloride
CID 117066829
ditert-butyl (2S)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]butanedioate
CID 102156239
tert-butyl (2S)-2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-2-phenylacetate
CID 58046611
(2R)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-2-phenylacetic acid
CID 124704828
3-amino-1-(2-phenylpropyl)pyrrolidin-2-one
CID 104591592
(3R)-3-amino-1-(1-phenylethyl)azepan-2-one
CID 154443959
tert-butyl 4-amino-3,4-dihydro-2H-quinoline-1-carboxylate
CID 18337536
tert-butyl 3-hydroxy-2-methyl-3-phenylpropanoate
CID 571985
ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-2-phenylacetate
CID 135312159
tert-butyl 2-benzhydryloxypropanoate
CID 19020212
tert-butyl 3-[amino(phenyl)methyl]piperidine-1-carboxylate
CID 102537949

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-amino-2-oxopyrrolidin-1-yl)-2-phenylacetate?
The IUPAC name of tert-butyl 2-(3-amino-2-oxopyrrolidin-1-yl)-2-phenylacetate (CID 75511205) is tert-butyl 2-(3-amino-2-oxopyrrolidin-1-yl)-2-phenylacetate.
What is the SMILES notation for tert-butyl 2-(3-amino-2-oxopyrrolidin-1-yl)-2-phenylacetate?
The canonical SMILES for tert-butyl 2-(3-amino-2-oxopyrrolidin-1-yl)-2-phenylacetate is CC(C)(C)OC(=O)C(c1ccccc1)N1CCC(N)C1=O.
What is the InChIKey of tert-butyl 2-(3-amino-2-oxopyrrolidin-1-yl)-2-phenylacetate?
The InChIKey is XDUUTRYCHAVIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(2,3)21-15(20)13(11-7-5-4-6-8-11)18-10-9-12(17)14(18)19/h4-8,12-13H,9-10,17H2,1-3H3.
What are the key properties of tert-butyl 2-(3-amino-2-oxopyrrolidin-1-yl)-2-phenylacetate?
tert-butyl 2-(3-amino-2-oxopyrrolidin-1-yl)-2-phenylacetate has a molecular weight of 290.36 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-amino-2-oxopyrrolidin-1-yl)-2-phenylacetate is sourced from PubChem (CID 75511205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).