2-[(2R)-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]morpholin-2-yl]acetic acid

C17H20N2O5 — CID 125119172

IUPAC2-[(2R)-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1CN(C(=O)c2cccc(N3CCCC3=O)c2)CCO1
InChIInChI=1S/C17H20N2O5/c20-15-5-2-6-19(15)13-4-1-3-12(9-13)17(23)18-7-8-24-14(11-18)10-16(21)22/h1,3-4,9,14H,2,5-8,10-11H2,(H,21,22)/t14-/m1/s1
InChIKeyIHACHDVSRKQECN-CQSZACIVSA-N
MW332.36 g/mol
LogP1.13
Rot. Bonds4

About 2-[(2R)-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]morpholin-2-yl]acetic acid

2-[(2R)-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]morpholin-2-yl]acetic acid (PubChem CID 125119172) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-[(2R)-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]morpholin-2-yl]acetic acid
PubChem CID125119172
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name2-[(2R)-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1CN(C(=O)c2cccc(N3CCCC3=O)c2)CCO1
InChIInChI=1S/C17H20N2O5/c20-15-5-2-6-19(15)13-4-1-3-12(9-13)17(23)18-7-8-24-14(11-18)10-16(21)22/h1,3-4,9,14H,2,5-8,10-11H2,(H,21,22)/t14-/m1/s1
InChIKeyIHACHDVSRKQECN-CQSZACIVSA-N
XLogP1.13
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]morpholin-2-yl]acetic acid
CID 125120159
2-[(2R)-4-(3-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid
CID 124705020
2-[(2R)-4-[5-methyl-2-(2-oxopyrrolidin-1-yl)benzoyl]morpholin-2-yl]acetic acid
CID 125150614
(3S,4S)-4-methyl-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 120953582
1-[4-(2-ethylmorpholine-4-carbonyl)phenyl]pyrrolidin-2-one
CID 42943561
2-[4-(3-ethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119248791
2-[(2S)-4-[3-(furan-3-yl)benzoyl]morpholin-2-yl]acetic acid
CID 129401275
1-[3-[(6R)-4-acetyl-6-hydroxy-1,4-diazepane-1-carbonyl]phenyl]pyrrolidin-2-one
CID 97130043
2-[4-(4-amino-3-fluorobenzoyl)morpholin-2-yl]acetic acid
CID 66434587
2-[4-[3-(cyclopropanecarbonylamino)benzoyl]morpholin-2-yl]acetic acid
CID 119247768
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
1-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]pyrrolidin-2-one
CID 3240026

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]morpholin-2-yl]acetic acid (CID 125119172) is 2-[(2R)-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]morpholin-2-yl]acetic acid is O=C(O)C[C@@H]1CN(C(=O)c2cccc(N3CCCC3=O)c2)CCO1.
What is the InChIKey of 2-[(2R)-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]morpholin-2-yl]acetic acid?
The InChIKey is IHACHDVSRKQECN-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N2O5/c20-15-5-2-6-19(15)13-4-1-3-12(9-13)17(23)18-7-8-24-14(11-18)10-16(21)22/h1,3-4,9,14H,2,5-8,10-11H2,(H,21,22)/t14-/m1/s1.
What are the key properties of 2-[(2R)-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]morpholin-2-yl]acetic acid?
2-[(2R)-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]morpholin-2-yl]acetic acid has a molecular weight of 332.36 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 125119172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).