(2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2-methylpropyl)phenyl]propanoate

C17H21NO4 — CID 10518539

IUPAC(2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
SMILESCC(C)Cc1ccc([C@H](C)C(=O)ON2C(=O)CCC2=O)cc1
InChIInChI=1S/C17H21NO4/c1-11(2)10-13-4-6-14(7-5-13)12(3)17(21)22-18-15(19)8-9-16(18)20/h4-7,11-12H,8-10H2,1-3H3/t12-/m0/s1
InChIKeyGKBIYHJLCVDJAP-LBPRGKRZSA-N
MW303.36 g/mol
LogP2.60
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2-methylpropyl)phenyl]propanoate

(2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2-methylpropyl)phenyl]propanoate (PubChem CID 10518539) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2-methylpropyl)phenyl]propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
PubChem CID10518539
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name(2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
SMILESCC(C)Cc1ccc([C@H](C)C(=O)ON2C(=O)CCC2=O)cc1
InChIInChI=1S/C17H21NO4/c1-11(2)10-13-4-6-14(7-5-13)12(3)17(21)22-18-15(19)8-9-16(18)20/h4-7,11-12H,8-10H2,1-3H3/t12-/m0/s1
InChIKeyGKBIYHJLCVDJAP-LBPRGKRZSA-N
XLogP2.60
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

deuterioethyne;(2,5-dioxopyrrolidin-1-yl) 2-[4-(2-methylpropyl)phenyl]propanoate;1-hydroxypyrrolidine-2,5-dione;2-[4-(2-methylpropyl)phenyl]propanoic acid
CID 159832783
(2,5-dioxopyrrolidin-1-yl) (2S)-2-(6-ethylnaphthalen-2-yl)propanoate
CID 155282634
[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]oxymethyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 118682684
2-sulfanylethyl 2-[4-(2-methylpropyl)phenyl]propanoate
CID 10445655
3-hydroxybutyl 2-[4-(2-methylpropyl)phenyl]propanoate
CID 129318305
CID 175760114
CID 175760114
Ibuprofen (sodium)
CID 45052535
ethane;3-[4-(2-methylpropyl)phenyl]butan-2-one
CID 144564568
3-bromopropyl 2-[4-(2-methylpropyl)phenyl]propanoate
CID 11727156
trimethyl-[2-[2-[4-(2-methylpropyl)phenyl]propanoyloxy]ethyl]azanium
CID 15219069
(2S)-2-amino-3-[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]oxypropanoic acid
CID 67493555
benzhydryl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 166440077

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2-methylpropyl)phenyl]propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2-methylpropyl)phenyl]propanoate (CID 10518539) is (2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2-methylpropyl)phenyl]propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2-methylpropyl)phenyl]propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2-methylpropyl)phenyl]propanoate is CC(C)Cc1ccc([C@H](C)C(=O)ON2C(=O)CCC2=O)cc1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2-methylpropyl)phenyl]propanoate?
The InChIKey is GKBIYHJLCVDJAP-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21NO4/c1-11(2)10-13-4-6-14(7-5-13)12(3)17(21)22-18-15(19)8-9-16(18)20/h4-7,11-12H,8-10H2,1-3H3/t12-/m0/s1.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2-methylpropyl)phenyl]propanoate?
(2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2-methylpropyl)phenyl]propanoate has a molecular weight of 303.36 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2-methylpropyl)phenyl]propanoate is sourced from PubChem (CID 10518539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).