2-[3-(3-hydroxypropoxy)-2-oxo-1-pyridinyl]acetic acid

C10H13NO5 — CID 82056097

IUPAC2-[3-(3-hydroxypropoxy)-2-oxo-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1cccc(OCCCO)c1=O
InChIInChI=1S/C10H13NO5/c12-5-2-6-16-8-3-1-4-11(10(8)15)7-9(13)14/h1,3-4,12H,2,5-7H2,(H,13,14)
InChIKeyLQRZZQSVQQMHAT-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.31
Rot. Bonds6

About 2-[3-(3-hydroxypropoxy)-2-oxo-1-pyridinyl]acetic acid

2-[3-(3-hydroxypropoxy)-2-oxo-1-pyridinyl]acetic acid (PubChem CID 82056097) has the molecular formula C10H13NO5 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-[3-(3-hydroxypropoxy)-2-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-(3-hydroxypropoxy)-2-oxo-1-pyridinyl]acetic acid
PubChem CID82056097
Molecular FormulaC10H13NO5
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Name2-[3-(3-hydroxypropoxy)-2-oxo-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1cccc(OCCCO)c1=O
InChIInChI=1S/C10H13NO5/c12-5-2-6-16-8-3-1-4-11(10(8)15)7-9(13)14/h1,3-4,12H,2,5-7H2,(H,13,14)
InChIKeyLQRZZQSVQQMHAT-UHFFFAOYSA-N
XLogP-0.31
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(3-hydroxy-2-oxopyridin-1(2H)-yl)acetate
CID 11127212
Methyl 2-[3-(2-methoxy-2-oxoethoxy)-2-oxo-1-pyridinyl]acetate
CID 51062619
Methyl 2-(3-hydroxy-2-oxo-1-pyridinyl)acetate
CID 12131346
ethyl 2-(3-hydroxy-2H-pyridin-1-yl)-2-oxoacetate
CID 18418776
2-(3-Methoxy-2-oxo-1-pyridinyl)acetic acid
CID 21493808
2-(3-Methoxy-2-oxopyridin-1-yl)propanoic acid
CID 45091594
(3-Methoxy-2-oxo-2H-pyridin-1-yl)-acetic acid ethyl ester
CID 67549678
3-(3-Methoxy-2-oxo-1-pyridinyl)propanoic acid
CID 70037026
2-(3-Butoxy-2-oxo-1-pyridinyl)acetic acid
CID 70328257
Methyl 2-[3-[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]oxy-2-oxo-1-pyridinyl]acetate
CID 70426209
3-(3-Butoxy-2-oxo-1-pyridinyl)propanoic acid
CID 82056158
Butyl 2-(3-hydroxy-2-oxo-1-pyridinyl)acetate
CID 12131342

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-hydroxypropoxy)-2-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[3-(3-hydroxypropoxy)-2-oxo-1-pyridinyl]acetic acid (CID 82056097) is 2-[3-(3-hydroxypropoxy)-2-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-(3-hydroxypropoxy)-2-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-(3-hydroxypropoxy)-2-oxo-1-pyridinyl]acetic acid is O=C(O)Cn1cccc(OCCCO)c1=O.
What is the InChIKey of 2-[3-(3-hydroxypropoxy)-2-oxo-1-pyridinyl]acetic acid?
The InChIKey is LQRZZQSVQQMHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5/c12-5-2-6-16-8-3-1-4-11(10(8)15)7-9(13)14/h1,3-4,12H,2,5-7H2,(H,13,14).
What are the key properties of 2-[3-(3-hydroxypropoxy)-2-oxo-1-pyridinyl]acetic acid?
2-[3-(3-hydroxypropoxy)-2-oxo-1-pyridinyl]acetic acid has a molecular weight of 227.22 g/mol, XLogP of -0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-hydroxypropoxy)-2-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 82056097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).