(2R)-2-(2,6-dimethyl-N-oxaloanilino)propanoic acid

C13H15NO5 — CID 139595050

IUPAC(2R)-2-(2,6-dimethyl-N-oxaloanilino)propanoic acid
SMILESCc1cccc(C)c1N(C(=O)C(=O)O)[C@H](C)C(=O)O
InChIInChI=1S/C13H15NO5/c1-7-5-4-6-8(2)10(7)14(9(3)12(16)17)11(15)13(18)19/h4-6,9H,1-3H3,(H,16,17)(H,18,19)/t9-/m1/s1
InChIKeyGFUCPENVJSCPOD-SECBINFHSA-N
MW265.26 g/mol
LogP1.19
Rot. Bonds3

About (2R)-2-(2,6-dimethyl-N-oxaloanilino)propanoic acid

(2R)-2-(2,6-dimethyl-N-oxaloanilino)propanoic acid (PubChem CID 139595050) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is (2R)-2-(2,6-dimethyl-N-oxaloanilino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(2,6-dimethyl-N-oxaloanilino)propanoic acid
PubChem CID139595050
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name(2R)-2-(2,6-dimethyl-N-oxaloanilino)propanoic acid
SMILESCc1cccc(C)c1N(C(=O)C(=O)O)[C@H](C)C(=O)O
InChIInChI=1S/C13H15NO5/c1-7-5-4-6-8(2)10(7)14(9(3)12(16)17)11(15)13(18)19/h4-6,9H,1-3H3,(H,16,17)(H,18,19)/t9-/m1/s1
InChIKeyGFUCPENVJSCPOD-SECBINFHSA-N
XLogP1.19
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,6-dimethyl-N-oxaloanilino)propanoic acid?
The IUPAC name of (2R)-2-(2,6-dimethyl-N-oxaloanilino)propanoic acid (CID 139595050) is (2R)-2-(2,6-dimethyl-N-oxaloanilino)propanoic acid.
What is the SMILES notation for (2R)-2-(2,6-dimethyl-N-oxaloanilino)propanoic acid?
The canonical SMILES for (2R)-2-(2,6-dimethyl-N-oxaloanilino)propanoic acid is Cc1cccc(C)c1N(C(=O)C(=O)O)[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-(2,6-dimethyl-N-oxaloanilino)propanoic acid?
The InChIKey is GFUCPENVJSCPOD-SECBINFHSA-N. The full InChI is InChI=1S/C13H15NO5/c1-7-5-4-6-8(2)10(7)14(9(3)12(16)17)11(15)13(18)19/h4-6,9H,1-3H3,(H,16,17)(H,18,19)/t9-/m1/s1.
What are the key properties of (2R)-2-(2,6-dimethyl-N-oxaloanilino)propanoic acid?
(2R)-2-(2,6-dimethyl-N-oxaloanilino)propanoic acid has a molecular weight of 265.26 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,6-dimethyl-N-oxaloanilino)propanoic acid is sourced from PubChem (CID 139595050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).