2-[3-(2-oxo-1-pyridinyl)propanoyl-propan-2-ylamino]acetic acid

C13H18N2O4 — CID 60832892

IUPAC2-[3-(2-oxo-1-pyridinyl)propanoyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)CCn1ccccc1=O
InChIInChI=1S/C13H18N2O4/c1-10(2)15(9-13(18)19)12(17)6-8-14-7-4-3-5-11(14)16/h3-5,7,10H,6,8-9H2,1-2H3,(H,18,19)
InChIKeyRBIZKJOGRNPVPW-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.56
Rot. Bonds6

About 2-[3-(2-oxo-1-pyridinyl)propanoyl-propan-2-ylamino]acetic acid

2-[3-(2-oxo-1-pyridinyl)propanoyl-propan-2-ylamino]acetic acid (PubChem CID 60832892) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[3-(2-oxo-1-pyridinyl)propanoyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[3-(2-oxo-1-pyridinyl)propanoyl-propan-2-ylamino]acetic acid
PubChem CID60832892
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[3-(2-oxo-1-pyridinyl)propanoyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)CCn1ccccc1=O
InChIInChI=1S/C13H18N2O4/c1-10(2)15(9-13(18)19)12(17)6-8-14-7-4-3-5-11(14)16/h3-5,7,10H,6,8-9H2,1-2H3,(H,18,19)
InChIKeyRBIZKJOGRNPVPW-UHFFFAOYSA-N
XLogP0.56
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-oxo-1-pyridinyl)propanoyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[3-(2-oxo-1-pyridinyl)propanoyl-propan-2-ylamino]acetic acid (CID 60832892) is 2-[3-(2-oxo-1-pyridinyl)propanoyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[3-(2-oxo-1-pyridinyl)propanoyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[3-(2-oxo-1-pyridinyl)propanoyl-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)CCn1ccccc1=O.
What is the InChIKey of 2-[3-(2-oxo-1-pyridinyl)propanoyl-propan-2-ylamino]acetic acid?
The InChIKey is RBIZKJOGRNPVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-10(2)15(9-13(18)19)12(17)6-8-14-7-4-3-5-11(14)16/h3-5,7,10H,6,8-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[3-(2-oxo-1-pyridinyl)propanoyl-propan-2-ylamino]acetic acid?
2-[3-(2-oxo-1-pyridinyl)propanoyl-propan-2-ylamino]acetic acid has a molecular weight of 266.30 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-oxo-1-pyridinyl)propanoyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 60832892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).