2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-(cyclopropylmethyl)amino]acetic acid

C13H15BrN2O4 — CID 43655532

IUPAC2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C13H15BrN2O4/c14-10-3-4-11(17)16(6-10)7-12(18)15(8-13(19)20)5-9-1-2-9/h3-4,6,9H,1-2,5,7-8H2,(H,19,20)
InChIKeyNKOFBGFAKHCBFV-UHFFFAOYSA-N
MW343.18 g/mol
LogP0.93
Rot. Bonds6

About 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-(cyclopropylmethyl)amino]acetic acid

2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-(cyclopropylmethyl)amino]acetic acid (PubChem CID 43655532) has the molecular formula C13H15BrN2O4 and a molecular weight of 343.18 g/mol. Its IUPAC name is 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-(cyclopropylmethyl)amino]acetic acid
PubChem CID43655532
Molecular FormulaC13H15BrN2O4
Molecular Weight343.18 g/mol
Exact Mass342.02
IUPAC Name2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C13H15BrN2O4/c14-10-3-4-11(17)16(6-10)7-12(18)15(8-13(19)20)5-9-1-2-9/h3-4,6,9H,1-2,5,7-8H2,(H,19,20)
InChIKeyNKOFBGFAKHCBFV-UHFFFAOYSA-N
XLogP0.93
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-(cyclopropylmethyl)amino]acetic acid (CID 43655532) is 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-(cyclopropylmethyl)amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is NKOFBGFAKHCBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O4/c14-10-3-4-11(17)16(6-10)7-12(18)15(8-13(19)20)5-9-1-2-9/h3-4,6,9H,1-2,5,7-8H2,(H,19,20).
What are the key properties of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-(cyclopropylmethyl)amino]acetic acid?
2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 343.18 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 43655532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).