(2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-2-pyridin-2-ylpropanoic acid

C18H20N2O3 — CID 18663499

IUPAC(2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-2-pyridin-2-ylpropanoic acid
SMILESCc1cc(C)cc(C(=O)N(C)[C@@](C)(C(=O)O)c2ccccn2)c1
InChIInChI=1S/C18H20N2O3/c1-12-9-13(2)11-14(10-12)16(21)20(4)18(3,17(22)23)15-7-5-6-8-19-15/h5-11H,1-4H3,(H,22,23)/t18-/m1/s1
InChIKeyIRAURVJLTMYIQA-GOSISDBHSA-N
MW312.37 g/mol
LogP2.77
Rot. Bonds4

About (2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-2-pyridin-2-ylpropanoic acid

(2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-2-pyridin-2-ylpropanoic acid (PubChem CID 18663499) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is (2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-2-pyridin-2-ylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-2-pyridin-2-ylpropanoic acid
PubChem CID18663499
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name(2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-2-pyridin-2-ylpropanoic acid
SMILESCc1cc(C)cc(C(=O)N(C)[C@@](C)(C(=O)O)c2ccccn2)c1
InChIInChI=1S/C18H20N2O3/c1-12-9-13(2)11-14(10-12)16(21)20(4)18(3,17(22)23)15-7-5-6-8-19-15/h5-11H,1-4H3,(H,22,23)/t18-/m1/s1
InChIKeyIRAURVJLTMYIQA-GOSISDBHSA-N
XLogP2.77
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-2-pyridin-2-ylpropanoic acid?
The IUPAC name of (2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-2-pyridin-2-ylpropanoic acid (CID 18663499) is (2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-2-pyridin-2-ylpropanoic acid.
What is the SMILES notation for (2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-2-pyridin-2-ylpropanoic acid?
The canonical SMILES for (2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-2-pyridin-2-ylpropanoic acid is Cc1cc(C)cc(C(=O)N(C)[C@@](C)(C(=O)O)c2ccccn2)c1.
What is the InChIKey of (2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-2-pyridin-2-ylpropanoic acid?
The InChIKey is IRAURVJLTMYIQA-GOSISDBHSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-9-13(2)11-14(10-12)16(21)20(4)18(3,17(22)23)15-7-5-6-8-19-15/h5-11H,1-4H3,(H,22,23)/t18-/m1/s1.
What are the key properties of (2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-2-pyridin-2-ylpropanoic acid?
(2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-2-pyridin-2-ylpropanoic acid has a molecular weight of 312.37 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-2-pyridin-2-ylpropanoic acid is sourced from PubChem (CID 18663499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).