2-[(6-oxo-1H-pyridin-2-yl)methylamino]acetic acid

C8H10N2O3 — CID 122630546

IUPAC2-[(6-oxo-1H-pyridin-2-yl)methylamino]acetic acid
SMILESO=C(O)CNCc1cccc(=O)[nH]1
InChIInChI=1S/C8H10N2O3/c11-7-3-1-2-6(10-7)4-9-5-8(12)13/h1-3,9H,4-5H2,(H,10,11)(H,12,13)
InChIKeyCPTCIVBDNGFLQS-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.45
Rot. Bonds4

About 2-[(6-oxo-1H-pyridin-2-yl)methylamino]acetic acid

2-[(6-oxo-1H-pyridin-2-yl)methylamino]acetic acid (PubChem CID 122630546) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-[(6-oxo-1H-pyridin-2-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(6-oxo-1H-pyridin-2-yl)methylamino]acetic acid
PubChem CID122630546
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-[(6-oxo-1H-pyridin-2-yl)methylamino]acetic acid
SMILESO=C(O)CNCc1cccc(=O)[nH]1
InChIInChI=1S/C8H10N2O3/c11-7-3-1-2-6(10-7)4-9-5-8(12)13/h1-3,9H,4-5H2,(H,10,11)(H,12,13)
InChIKeyCPTCIVBDNGFLQS-UHFFFAOYSA-N
XLogP-0.45
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-1H-pyridin-2-yl)methylamino]acetic acid?
The IUPAC name of 2-[(6-oxo-1H-pyridin-2-yl)methylamino]acetic acid (CID 122630546) is 2-[(6-oxo-1H-pyridin-2-yl)methylamino]acetic acid.
What is the SMILES notation for 2-[(6-oxo-1H-pyridin-2-yl)methylamino]acetic acid?
The canonical SMILES for 2-[(6-oxo-1H-pyridin-2-yl)methylamino]acetic acid is O=C(O)CNCc1cccc(=O)[nH]1.
What is the InChIKey of 2-[(6-oxo-1H-pyridin-2-yl)methylamino]acetic acid?
The InChIKey is CPTCIVBDNGFLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c11-7-3-1-2-6(10-7)4-9-5-8(12)13/h1-3,9H,4-5H2,(H,10,11)(H,12,13).
What are the key properties of 2-[(6-oxo-1H-pyridin-2-yl)methylamino]acetic acid?
2-[(6-oxo-1H-pyridin-2-yl)methylamino]acetic acid has a molecular weight of 182.18 g/mol, XLogP of -0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-1H-pyridin-2-yl)methylamino]acetic acid is sourced from PubChem (CID 122630546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).