3-[2-amino-3-(2-hydroxyphenyl)propanoyl]oxypyridine-2-carboxylic acid

C15H14N2O5 — CID 140701311

IUPAC3-[2-amino-3-(2-hydroxyphenyl)propanoyl]oxypyridine-2-carboxylic acid
SMILESNC(Cc1ccccc1O)C(=O)Oc1cccnc1C(=O)O
InChIInChI=1S/C15H14N2O5/c16-10(8-9-4-1-2-5-11(9)18)15(21)22-12-6-3-7-17-13(12)14(19)20/h1-7,10,18H,8,16H2,(H,19,20)
InChIKeyMDSPNYDRFGARBD-UHFFFAOYSA-N
MW302.29 g/mol
LogP0.96
Rot. Bonds5

About 3-[2-amino-3-(2-hydroxyphenyl)propanoyl]oxypyridine-2-carboxylic acid

3-[2-amino-3-(2-hydroxyphenyl)propanoyl]oxypyridine-2-carboxylic acid (PubChem CID 140701311) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is 3-[2-amino-3-(2-hydroxyphenyl)propanoyl]oxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-amino-3-(2-hydroxyphenyl)propanoyl]oxypyridine-2-carboxylic acid
PubChem CID140701311
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Name3-[2-amino-3-(2-hydroxyphenyl)propanoyl]oxypyridine-2-carboxylic acid
SMILESNC(Cc1ccccc1O)C(=O)Oc1cccnc1C(=O)O
InChIInChI=1S/C15H14N2O5/c16-10(8-9-4-1-2-5-11(9)18)15(21)22-12-6-3-7-17-13(12)14(19)20/h1-7,10,18H,8,16H2,(H,19,20)
InChIKeyMDSPNYDRFGARBD-UHFFFAOYSA-N
XLogP0.96
TPSA122.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2S)-2-amino-3-methoxy-3-oxopropyl]pyridine-2-carboxylic acid
CID 171238555
3-(3-aminopropoxy)pyridine-2-carboxylic acid
CID 63654419
ethyl 2-amino-3-(2-hydroxyphenyl)propanoate
CID 14009054
ethyl 2-amino-3-(2-hydroxyphenyl)propanoate;hydrochloride
CID 86133997
3-(naphthalen-1-ylmethoxy)pyridine-2-carboxylic acid
CID 61380024
3-[(2-ethylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63074333
3-(4-carboxybutoxy)pyridine-2-carboxylic acid
CID 69472866
3-[(2-methylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63073600
3-[2-(2-methylprop-2-enoyloxy)ethoxy]pyridine-2-carboxylic acid
CID 140907193
3-(1,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
CID 175397077
2-amino-3-(2-chloro-3-pyridinyl)propanoic acid
CID 22326364
3-[2-(3-methylbutoxy)ethoxy]pyridine-2-carboxylic acid
CID 54956088

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-3-(2-hydroxyphenyl)propanoyl]oxypyridine-2-carboxylic acid?
The IUPAC name of 3-[2-amino-3-(2-hydroxyphenyl)propanoyl]oxypyridine-2-carboxylic acid (CID 140701311) is 3-[2-amino-3-(2-hydroxyphenyl)propanoyl]oxypyridine-2-carboxylic acid.
What is the SMILES notation for 3-[2-amino-3-(2-hydroxyphenyl)propanoyl]oxypyridine-2-carboxylic acid?
The canonical SMILES for 3-[2-amino-3-(2-hydroxyphenyl)propanoyl]oxypyridine-2-carboxylic acid is NC(Cc1ccccc1O)C(=O)Oc1cccnc1C(=O)O.
What is the InChIKey of 3-[2-amino-3-(2-hydroxyphenyl)propanoyl]oxypyridine-2-carboxylic acid?
The InChIKey is MDSPNYDRFGARBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5/c16-10(8-9-4-1-2-5-11(9)18)15(21)22-12-6-3-7-17-13(12)14(19)20/h1-7,10,18H,8,16H2,(H,19,20).
What are the key properties of 3-[2-amino-3-(2-hydroxyphenyl)propanoyl]oxypyridine-2-carboxylic acid?
3-[2-amino-3-(2-hydroxyphenyl)propanoyl]oxypyridine-2-carboxylic acid has a molecular weight of 302.29 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-3-(2-hydroxyphenyl)propanoyl]oxypyridine-2-carboxylic acid is sourced from PubChem (CID 140701311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).