(2R)-2-[(2,5-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid

C15H19NO5 — CID 107820629

IUPAC(2R)-2-[(2,5-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)c1cc(C)ccc1C)C(=O)O
InChIInChI=1S/C15H19NO5/c1-9-4-5-10(2)11(8-9)14(18)16-12(15(19)20)6-7-13(17)21-3/h4-5,8,12H,6-7H2,1-3H3,(H,16,18)(H,19,20)/t12-/m1/s1
InChIKeyZWLPVORTNYVGOP-GFCCVEGCSA-N
MW293.32 g/mol
LogP1.44
Rot. Bonds6

About (2R)-2-[(2,5-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid

(2R)-2-[(2,5-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid (PubChem CID 107820629) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is (2R)-2-[(2,5-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2,5-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid
PubChem CID107820629
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name(2R)-2-[(2,5-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)c1cc(C)ccc1C)C(=O)O
InChIInChI=1S/C15H19NO5/c1-9-4-5-10(2)11(8-9)14(18)16-12(15(19)20)6-7-13(17)21-3/h4-5,8,12H,6-7H2,1-3H3,(H,16,18)(H,19,20)/t12-/m1/s1
InChIKeyZWLPVORTNYVGOP-GFCCVEGCSA-N
XLogP1.44
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,4-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780822
2-[(2-fluoro-5-methylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780387
2-[(2,5-dimethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81076484
2-[(2,4-dichlorobenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780716
5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid
CID 82786310
(2R)-2-[(2-bromo-3-methylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107981575
(2R)-2-[(2-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820728
(2R)-2-[(2,4-dihydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820519
(2R)-5-amino-2-[(2-fluoro-5-methylbenzoyl)amino]-5-oxopentanoic acid
CID 107830031
2-[(2,4-difluorobenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780270
(2R)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820929
2-[(2-chloro-5-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 106500403

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,5-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid?
The IUPAC name of (2R)-2-[(2,5-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid (CID 107820629) is (2R)-2-[(2,5-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for (2R)-2-[(2,5-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for (2R)-2-[(2,5-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid is COC(=O)CC[C@@H](NC(=O)c1cc(C)ccc1C)C(=O)O.
What is the InChIKey of (2R)-2-[(2,5-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid?
The InChIKey is ZWLPVORTNYVGOP-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19NO5/c1-9-4-5-10(2)11(8-9)14(18)16-12(15(19)20)6-7-13(17)21-3/h4-5,8,12H,6-7H2,1-3H3,(H,16,18)(H,19,20)/t12-/m1/s1.
What are the key properties of (2R)-2-[(2,5-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid?
(2R)-2-[(2,5-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid has a molecular weight of 293.32 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,5-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 107820629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).