(2R)-2-(3,3-dimethylbutanoyloxy)-2-[(2R)-4-[1-(2-methoxy-2-oxoethyl)-2-oxo-3,4-dihydroquinolin-7-yl]-3-oxomorpholin-2-yl]acetic acid

C24H30N2O9 — CID 67223149

IUPAC(2R)-2-(3,3-dimethylbutanoyloxy)-2-[(2R)-4-[1-(2-methoxy-2-oxoethyl)-2-oxo-3,4-dihydroquinolin-7-yl]-3-oxomorpholin-2-yl]acetic acid
SMILESCOC(=O)CN1C(=O)CCc2ccc(N3CCO[C@H]([C@@H](OC(=O)CC(C)(C)C)C(=O)O)C3=O)cc21
InChIInChI=1S/C24H30N2O9/c1-24(2,3)12-18(28)35-21(23(31)32)20-22(30)25(9-10-34-20)15-7-5-14-6-8-17(27)26(16(14)11-15)13-19(29)33-4/h5,7,11,20-21H,6,8-10,12-13H2,1-4H3,(H,31,32)/t20-,21-/m1/s1
InChIKeySUGPDTRJFKVOCU-NHCUHLMSSA-N
MW490.51 g/mol
LogP1.30
Rot. Bonds7

About (2R)-2-(3,3-dimethylbutanoyloxy)-2-[(2R)-4-[1-(2-methoxy-2-oxoethyl)-2-oxo-3,4-dihydroquinolin-7-yl]-3-oxomorpholin-2-yl]acetic acid

(2R)-2-(3,3-dimethylbutanoyloxy)-2-[(2R)-4-[1-(2-methoxy-2-oxoethyl)-2-oxo-3,4-dihydroquinolin-7-yl]-3-oxomorpholin-2-yl]acetic acid (PubChem CID 67223149) has the molecular formula C24H30N2O9 and a molecular weight of 490.51 g/mol. Its IUPAC name is (2R)-2-(3,3-dimethylbutanoyloxy)-2-[(2R)-4-[1-(2-methoxy-2-oxoethyl)-2-oxo-3,4-dihydroquinolin-7-yl]-3-oxomorpholin-2-yl]acetic acid.

Molecular Properties

Compound Name(2R)-2-(3,3-dimethylbutanoyloxy)-2-[(2R)-4-[1-(2-methoxy-2-oxoethyl)-2-oxo-3,4-dihydroquinolin-7-yl]-3-oxomorpholin-2-yl]acetic acid
PubChem CID67223149
Molecular FormulaC24H30N2O9
Molecular Weight490.51 g/mol
Exact Mass490.20
IUPAC Name(2R)-2-(3,3-dimethylbutanoyloxy)-2-[(2R)-4-[1-(2-methoxy-2-oxoethyl)-2-oxo-3,4-dihydroquinolin-7-yl]-3-oxomorpholin-2-yl]acetic acid
SMILESCOC(=O)CN1C(=O)CCc2ccc(N3CCO[C@H]([C@@H](OC(=O)CC(C)(C)C)C(=O)O)C3=O)cc21
InChIInChI=1S/C24H30N2O9/c1-24(2,3)12-18(28)35-21(23(31)32)20-22(30)25(9-10-34-20)15-7-5-14-6-8-17(27)26(16(14)11-15)13-19(29)33-4/h5,7,11,20-21H,6,8-10,12-13H2,1-4H3,(H,31,32)/t20-,21-/m1/s1
InChIKeySUGPDTRJFKVOCU-NHCUHLMSSA-N
XLogP1.30
TPSA139.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.51
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2R)-2-(3,3-dimethylbutanoyloxy)-2-[(2R)-4-[1-(2-methoxy-2-oxoethyl)-2-oxo-3,4-dihydroquinolin-7-yl]-3-oxomorpholin-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,3-dimethylbutanoyloxy)-2-[(2R)-4-[1-(2-methoxy-2-oxoethyl)-2-oxo-3,4-dihydroquinolin-7-yl]-3-oxomorpholin-2-yl]acetic acid?
The IUPAC name of (2R)-2-(3,3-dimethylbutanoyloxy)-2-[(2R)-4-[1-(2-methoxy-2-oxoethyl)-2-oxo-3,4-dihydroquinolin-7-yl]-3-oxomorpholin-2-yl]acetic acid (CID 67223149) is (2R)-2-(3,3-dimethylbutanoyloxy)-2-[(2R)-4-[1-(2-methoxy-2-oxoethyl)-2-oxo-3,4-dihydroquinolin-7-yl]-3-oxomorpholin-2-yl]acetic acid.
What is the SMILES notation for (2R)-2-(3,3-dimethylbutanoyloxy)-2-[(2R)-4-[1-(2-methoxy-2-oxoethyl)-2-oxo-3,4-dihydroquinolin-7-yl]-3-oxomorpholin-2-yl]acetic acid?
The canonical SMILES for (2R)-2-(3,3-dimethylbutanoyloxy)-2-[(2R)-4-[1-(2-methoxy-2-oxoethyl)-2-oxo-3,4-dihydroquinolin-7-yl]-3-oxomorpholin-2-yl]acetic acid is COC(=O)CN1C(=O)CCc2ccc(N3CCO[C@H]([C@@H](OC(=O)CC(C)(C)C)C(=O)O)C3=O)cc21.
What is the InChIKey of (2R)-2-(3,3-dimethylbutanoyloxy)-2-[(2R)-4-[1-(2-methoxy-2-oxoethyl)-2-oxo-3,4-dihydroquinolin-7-yl]-3-oxomorpholin-2-yl]acetic acid?
The InChIKey is SUGPDTRJFKVOCU-NHCUHLMSSA-N. The full InChI is InChI=1S/C24H30N2O9/c1-24(2,3)12-18(28)35-21(23(31)32)20-22(30)25(9-10-34-20)15-7-5-14-6-8-17(27)26(16(14)11-15)13-19(29)33-4/h5,7,11,20-21H,6,8-10,12-13H2,1-4H3,(H,31,32)/t20-,21-/m1/s1.
What are the key properties of (2R)-2-(3,3-dimethylbutanoyloxy)-2-[(2R)-4-[1-(2-methoxy-2-oxoethyl)-2-oxo-3,4-dihydroquinolin-7-yl]-3-oxomorpholin-2-yl]acetic acid?
(2R)-2-(3,3-dimethylbutanoyloxy)-2-[(2R)-4-[1-(2-methoxy-2-oxoethyl)-2-oxo-3,4-dihydroquinolin-7-yl]-3-oxomorpholin-2-yl]acetic acid has a molecular weight of 490.51 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,3-dimethylbutanoyloxy)-2-[(2R)-4-[1-(2-methoxy-2-oxoethyl)-2-oxo-3,4-dihydroquinolin-7-yl]-3-oxomorpholin-2-yl]acetic acid is sourced from PubChem (CID 67223149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).