2-[[2,4-dimethyl-6-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carbonyl]amino]acetic acid

C15H21N3O5 — CID 119350119

IUPAC2-[[2,4-dimethyl-6-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carbonyl]amino]acetic acid
SMILESCc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)NCC(=O)O
InChIInChI=1S/C15H21N3O5/c1-8(2)17-11(19)7-18-10(4)14(9(3)5-12(18)20)15(23)16-6-13(21)22/h5,8H,6-7H2,1-4H3,(H,16,23)(H,17,19)(H,21,22)
InChIKeyZLLBGGZNVVXHQF-UHFFFAOYSA-N
MW323.35 g/mol
LogP-0.20
Rot. Bonds6

About 2-[[2,4-dimethyl-6-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carbonyl]amino]acetic acid

2-[[2,4-dimethyl-6-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carbonyl]amino]acetic acid (PubChem CID 119350119) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-[[2,4-dimethyl-6-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2,4-dimethyl-6-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carbonyl]amino]acetic acid
PubChem CID119350119
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC Name2-[[2,4-dimethyl-6-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carbonyl]amino]acetic acid
SMILESCc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)NCC(=O)O
InChIInChI=1S/C15H21N3O5/c1-8(2)17-11(19)7-18-10(4)14(9(3)5-12(18)20)15(23)16-6-13(21)22/h5,8H,6-7H2,1-4H3,(H,16,23)(H,17,19)(H,21,22)
InChIKeyZLLBGGZNVVXHQF-UHFFFAOYSA-N
XLogP-0.20
TPSA117.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2,4-dimethyl-6-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[2,4-dimethyl-6-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carbonyl]amino]acetic acid (CID 119350119) is 2-[[2,4-dimethyl-6-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[2,4-dimethyl-6-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[2,4-dimethyl-6-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carbonyl]amino]acetic acid is Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)NCC(=O)O.
What is the InChIKey of 2-[[2,4-dimethyl-6-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carbonyl]amino]acetic acid?
The InChIKey is ZLLBGGZNVVXHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5/c1-8(2)17-11(19)7-18-10(4)14(9(3)5-12(18)20)15(23)16-6-13(21)22/h5,8H,6-7H2,1-4H3,(H,16,23)(H,17,19)(H,21,22).
What are the key properties of 2-[[2,4-dimethyl-6-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carbonyl]amino]acetic acid?
2-[[2,4-dimethyl-6-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carbonyl]amino]acetic acid has a molecular weight of 323.35 g/mol, XLogP of -0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,4-dimethyl-6-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 119350119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).