(2,5-dioxopyrrolidin-1-yl) [(2R)-2-(phenylmethoxycarbonylamino)butyl] carbonate

C17H20N2O7 — CID 88793876

IUPAC(2,5-dioxopyrrolidin-1-yl) [(2R)-2-(phenylmethoxycarbonylamino)butyl] carbonate
SMILESCC[C@H](COC(=O)ON1C(=O)CCC1=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C17H20N2O7/c1-2-13(18-16(22)24-10-12-6-4-3-5-7-12)11-25-17(23)26-19-14(20)8-9-15(19)21/h3-7,13H,2,8-11H2,1H3,(H,18,22)/t13-/m1/s1
InChIKeyJCJYQKXGSKSDQK-CYBMUJFWSA-N
MW364.35 g/mol
LogP1.91
Rot. Bonds7

About (2,5-dioxopyrrolidin-1-yl) [(2R)-2-(phenylmethoxycarbonylamino)butyl] carbonate

(2,5-dioxopyrrolidin-1-yl) [(2R)-2-(phenylmethoxycarbonylamino)butyl] carbonate (PubChem CID 88793876) has the molecular formula C17H20N2O7 and a molecular weight of 364.35 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) [(2R)-2-(phenylmethoxycarbonylamino)butyl] carbonate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) [(2R)-2-(phenylmethoxycarbonylamino)butyl] carbonate
PubChem CID88793876
Molecular FormulaC17H20N2O7
Molecular Weight364.35 g/mol
Exact Mass364.13
IUPAC Name(2,5-dioxopyrrolidin-1-yl) [(2R)-2-(phenylmethoxycarbonylamino)butyl] carbonate
SMILESCC[C@H](COC(=O)ON1C(=O)CCC1=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C17H20N2O7/c1-2-13(18-16(22)24-10-12-6-4-3-5-7-12)11-25-17(23)26-19-14(20)8-9-15(19)21/h3-7,13H,2,8-11H2,1H3,(H,18,22)/t13-/m1/s1
InChIKeyJCJYQKXGSKSDQK-CYBMUJFWSA-N
XLogP1.91
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

[(2R)-2-(phenylmethoxycarbonylamino)butyl] acetate
CID 10333076
4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
CID 155286862
benzyl N-(1-aminobutan-2-yl)carbamate;hydrochloride
CID 45072684
(2,5-dioxopyrrolidin-1-yl) (2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoate
CID 11089751
benzyl N-[(1S)-1-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]-3-methylbutyl]carbamate
CID 135802805
5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-ethyl (2S)-2-(phenylmethoxycarbonylamino)pentanedioate
CID 86734647
(2,5-dioxopyrrolidin-1-yl) (2S)-4-[[(3S)-4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxo-3-(phenylmethoxycarbonylamino)butyl]disulfanyl]-2-(phenylmethoxycarbonylamino)butanoate
CID 59961311
benzyl N-[(1S,2R)-2-bromo-1-(2,5-dioxopyrrolidin-1-yl)butyl]carbamate
CID 135025990
(2,5-dioxopyrrolidin-1-yl) (2R)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetate
CID 154815014
(2,5-dioxopyrrolidin-1-yl) 3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoate
CID 4196318
(2,5-dioxopyrrolidin-1-yl) 3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoate
CID 2775787
1-O-benzyl 4-O-[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl] butanedioate
CID 90379430

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) [(2R)-2-(phenylmethoxycarbonylamino)butyl] carbonate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) [(2R)-2-(phenylmethoxycarbonylamino)butyl] carbonate (CID 88793876) is (2,5-dioxopyrrolidin-1-yl) [(2R)-2-(phenylmethoxycarbonylamino)butyl] carbonate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) [(2R)-2-(phenylmethoxycarbonylamino)butyl] carbonate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) [(2R)-2-(phenylmethoxycarbonylamino)butyl] carbonate is CC[C@H](COC(=O)ON1C(=O)CCC1=O)NC(=O)OCc1ccccc1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) [(2R)-2-(phenylmethoxycarbonylamino)butyl] carbonate?
The InChIKey is JCJYQKXGSKSDQK-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N2O7/c1-2-13(18-16(22)24-10-12-6-4-3-5-7-12)11-25-17(23)26-19-14(20)8-9-15(19)21/h3-7,13H,2,8-11H2,1H3,(H,18,22)/t13-/m1/s1.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) [(2R)-2-(phenylmethoxycarbonylamino)butyl] carbonate?
(2,5-dioxopyrrolidin-1-yl) [(2R)-2-(phenylmethoxycarbonylamino)butyl] carbonate has a molecular weight of 364.35 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) [(2R)-2-(phenylmethoxycarbonylamino)butyl] carbonate is sourced from PubChem (CID 88793876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).