(2R)-2-acetyloxy-2-[(2R)-4-[3-(dimethylcarbamoyl)-2-methylphenyl]-3-oxomorpholin-2-yl]acetic acid

C18H22N2O7 — CID 58181883

IUPAC(2R)-2-acetyloxy-2-[(2R)-4-[3-(dimethylcarbamoyl)-2-methylphenyl]-3-oxomorpholin-2-yl]acetic acid
SMILESCC(=O)O[C@@H](C(=O)O)[C@H]1OCCN(c2cccc(C(=O)N(C)C)c2C)C1=O
InChIInChI=1S/C18H22N2O7/c1-10-12(16(22)19(3)4)6-5-7-13(10)20-8-9-26-14(17(20)23)15(18(24)25)27-11(2)21/h5-7,14-15H,8-9H2,1-4H3,(H,24,25)/t14-,15-/m1/s1
InChIKeyDICZLVRDPGHFAG-HUUCEWRRSA-N
MW378.38 g/mol
LogP0.44
Rot. Bonds5

About (2R)-2-acetyloxy-2-[(2R)-4-[3-(dimethylcarbamoyl)-2-methylphenyl]-3-oxomorpholin-2-yl]acetic acid

(2R)-2-acetyloxy-2-[(2R)-4-[3-(dimethylcarbamoyl)-2-methylphenyl]-3-oxomorpholin-2-yl]acetic acid (PubChem CID 58181883) has the molecular formula C18H22N2O7 and a molecular weight of 378.38 g/mol. Its IUPAC name is (2R)-2-acetyloxy-2-[(2R)-4-[3-(dimethylcarbamoyl)-2-methylphenyl]-3-oxomorpholin-2-yl]acetic acid.

Molecular Properties

Compound Name(2R)-2-acetyloxy-2-[(2R)-4-[3-(dimethylcarbamoyl)-2-methylphenyl]-3-oxomorpholin-2-yl]acetic acid
PubChem CID58181883
Molecular FormulaC18H22N2O7
Molecular Weight378.38 g/mol
Exact Mass378.14
IUPAC Name(2R)-2-acetyloxy-2-[(2R)-4-[3-(dimethylcarbamoyl)-2-methylphenyl]-3-oxomorpholin-2-yl]acetic acid
SMILESCC(=O)O[C@@H](C(=O)O)[C@H]1OCCN(c2cccc(C(=O)N(C)C)c2C)C1=O
InChIInChI=1S/C18H22N2O7/c1-10-12(16(22)19(3)4)6-5-7-13(10)20-8-9-26-14(17(20)23)15(18(24)25)27-11(2)21/h5-7,14-15H,8-9H2,1-4H3,(H,24,25)/t14-,15-/m1/s1
InChIKeyDICZLVRDPGHFAG-HUUCEWRRSA-N
XLogP0.44
TPSA113.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetyloxy-2-[(2R)-4-[3-(dimethylcarbamoyl)-2-methylphenyl]-3-oxomorpholin-2-yl]acetic acid?
The IUPAC name of (2R)-2-acetyloxy-2-[(2R)-4-[3-(dimethylcarbamoyl)-2-methylphenyl]-3-oxomorpholin-2-yl]acetic acid (CID 58181883) is (2R)-2-acetyloxy-2-[(2R)-4-[3-(dimethylcarbamoyl)-2-methylphenyl]-3-oxomorpholin-2-yl]acetic acid.
What is the SMILES notation for (2R)-2-acetyloxy-2-[(2R)-4-[3-(dimethylcarbamoyl)-2-methylphenyl]-3-oxomorpholin-2-yl]acetic acid?
The canonical SMILES for (2R)-2-acetyloxy-2-[(2R)-4-[3-(dimethylcarbamoyl)-2-methylphenyl]-3-oxomorpholin-2-yl]acetic acid is CC(=O)O[C@@H](C(=O)O)[C@H]1OCCN(c2cccc(C(=O)N(C)C)c2C)C1=O.
What is the InChIKey of (2R)-2-acetyloxy-2-[(2R)-4-[3-(dimethylcarbamoyl)-2-methylphenyl]-3-oxomorpholin-2-yl]acetic acid?
The InChIKey is DICZLVRDPGHFAG-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H22N2O7/c1-10-12(16(22)19(3)4)6-5-7-13(10)20-8-9-26-14(17(20)23)15(18(24)25)27-11(2)21/h5-7,14-15H,8-9H2,1-4H3,(H,24,25)/t14-,15-/m1/s1.
What are the key properties of (2R)-2-acetyloxy-2-[(2R)-4-[3-(dimethylcarbamoyl)-2-methylphenyl]-3-oxomorpholin-2-yl]acetic acid?
(2R)-2-acetyloxy-2-[(2R)-4-[3-(dimethylcarbamoyl)-2-methylphenyl]-3-oxomorpholin-2-yl]acetic acid has a molecular weight of 378.38 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetyloxy-2-[(2R)-4-[3-(dimethylcarbamoyl)-2-methylphenyl]-3-oxomorpholin-2-yl]acetic acid is sourced from PubChem (CID 58181883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).