2-[(3-hydroxy-2-pyridinyl)oxycarbonylamino]acetic acid

C8H8N2O5 — CID 22363712

IUPAC2-[(3-hydroxy-2-pyridinyl)oxycarbonylamino]acetic acid
SMILESO=C(O)CNC(=O)Oc1ncccc1O
InChIInChI=1S/C8H8N2O5/c11-5-2-1-3-9-7(5)15-8(14)10-4-6(12)13/h1-3,11H,4H2,(H,10,14)(H,12,13)
InChIKeyQRZDEULUOCGHIL-UHFFFAOYSA-N
MW212.16 g/mol
LogP-0.04
Rot. Bonds3

About 2-[(3-hydroxy-2-pyridinyl)oxycarbonylamino]acetic acid

2-[(3-hydroxy-2-pyridinyl)oxycarbonylamino]acetic acid (PubChem CID 22363712) has the molecular formula C8H8N2O5 and a molecular weight of 212.16 g/mol. Its IUPAC name is 2-[(3-hydroxy-2-pyridinyl)oxycarbonylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-hydroxy-2-pyridinyl)oxycarbonylamino]acetic acid
PubChem CID22363712
Molecular FormulaC8H8N2O5
Molecular Weight212.16 g/mol
Exact Mass212.04
IUPAC Name2-[(3-hydroxy-2-pyridinyl)oxycarbonylamino]acetic acid
SMILESO=C(O)CNC(=O)Oc1ncccc1O
InChIInChI=1S/C8H8N2O5/c11-5-2-1-3-9-7(5)15-8(14)10-4-6(12)13/h1-3,11H,4H2,(H,10,14)(H,12,13)
InChIKeyQRZDEULUOCGHIL-UHFFFAOYSA-N
XLogP-0.04
TPSA108.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(naphthalen-1-yloxycarbonylamino)acetic acid
CID 82294572
2-[(4-bromophenoxy)carbonylamino]acetic acid
CID 82306718
2-[(3-fluoro-2-pyridinyl)oxy]acetic acid
CID 66975791
2-[(3-methyl-2-pyridinyl)amino]acetic acid
CID 83826873
2-[(3-chloro-2-pyridinyl)carbamoylamino]acetic acid
CID 103094708
2-[(3,4-difluorophenoxy)carbonylamino]acetic acid
CID 82289036
2-methoxypyridin-3-ol;hydrate
CID 132769884
3-(quinolin-8-yloxycarbonylamino)propanoic acid
CID 116819716
bis(3-chloro-2-pyridinyl) propanedioate
CID 69083398
2-[(3-methylsulfonyl-2-pyridinyl)oxy]acetic acid
CID 114599478
2-[(3-methoxy-2-pyridinyl)amino]acetic acid
CID 83828470
(3-sulfanyl-2-pyridinyl) hydrogen carbonate
CID 68785765

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-2-pyridinyl)oxycarbonylamino]acetic acid?
The IUPAC name of 2-[(3-hydroxy-2-pyridinyl)oxycarbonylamino]acetic acid (CID 22363712) is 2-[(3-hydroxy-2-pyridinyl)oxycarbonylamino]acetic acid.
What is the SMILES notation for 2-[(3-hydroxy-2-pyridinyl)oxycarbonylamino]acetic acid?
The canonical SMILES for 2-[(3-hydroxy-2-pyridinyl)oxycarbonylamino]acetic acid is O=C(O)CNC(=O)Oc1ncccc1O.
What is the InChIKey of 2-[(3-hydroxy-2-pyridinyl)oxycarbonylamino]acetic acid?
The InChIKey is QRZDEULUOCGHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O5/c11-5-2-1-3-9-7(5)15-8(14)10-4-6(12)13/h1-3,11H,4H2,(H,10,14)(H,12,13).
What are the key properties of 2-[(3-hydroxy-2-pyridinyl)oxycarbonylamino]acetic acid?
2-[(3-hydroxy-2-pyridinyl)oxycarbonylamino]acetic acid has a molecular weight of 212.16 g/mol, XLogP of -0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-2-pyridinyl)oxycarbonylamino]acetic acid is sourced from PubChem (CID 22363712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).