2-hydroxy-5-[3-(oxolan-2-yl)propanoylamino]benzoic acid

C14H17NO5 — CID 43353096

IUPAC2-hydroxy-5-[3-(oxolan-2-yl)propanoylamino]benzoic acid
SMILESO=C(CCC1CCCO1)Nc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C14H17NO5/c16-12-5-3-9(8-11(12)14(18)19)15-13(17)6-4-10-2-1-7-20-10/h3,5,8,10,16H,1-2,4,6-7H2,(H,15,17)(H,18,19)
InChIKeyUQGLZXAHGUEBLB-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.99
Rot. Bonds5

About 2-hydroxy-5-[3-(oxolan-2-yl)propanoylamino]benzoic acid

2-hydroxy-5-[3-(oxolan-2-yl)propanoylamino]benzoic acid (PubChem CID 43353096) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-hydroxy-5-[3-(oxolan-2-yl)propanoylamino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[3-(oxolan-2-yl)propanoylamino]benzoic acid
PubChem CID43353096
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name2-hydroxy-5-[3-(oxolan-2-yl)propanoylamino]benzoic acid
SMILESO=C(CCC1CCCO1)Nc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C14H17NO5/c16-12-5-3-9(8-11(12)14(18)19)15-13(17)6-4-10-2-1-7-20-10/h3,5,8,10,16H,1-2,4,6-7H2,(H,15,17)(H,18,19)
InChIKeyUQGLZXAHGUEBLB-UHFFFAOYSA-N
XLogP1.99
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-[3-(oxan-2-yl)propanoylamino]benzoic acid
CID 115295879
4-hydroxy-3-[3-(oxolan-2-yl)propanoylamino]benzoic acid
CID 107264659
N-(3-chloro-4-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956710
N-(4-bromophenyl)-3-(oxolan-2-yl)propanamide
CID 42956700
5-iodo-2-[3-(oxolan-2-yl)propanoylamino]benzoic acid
CID 63111350
2-hydroxy-5-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 7268809
N-(3-fluoro-4-sulfamoylphenyl)-3-(oxolan-2-yl)propanamide
CID 65155549
2-hydroxy-5-[3-[4-(oxolan-2-ylmethyl)phenyl]prop-2-enoylamino]benzoic acid
CID 4973834
N-[4-(2-chloroethyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 114299310
2-[[2-[4-[3-(oxolan-2-yl)propanoylamino]phenyl]acetyl]amino]acetic acid
CID 119224410
N-(4-bromo-3-chlorophenyl)-3-(oxan-2-yl)propanamide
CID 103824581
N-(3-amino-4-methoxyphenyl)-3-(oxolan-2-yl)propanamide;hydrochloride
CID 119419458

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[3-(oxolan-2-yl)propanoylamino]benzoic acid?
The IUPAC name of 2-hydroxy-5-[3-(oxolan-2-yl)propanoylamino]benzoic acid (CID 43353096) is 2-hydroxy-5-[3-(oxolan-2-yl)propanoylamino]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[3-(oxolan-2-yl)propanoylamino]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[3-(oxolan-2-yl)propanoylamino]benzoic acid is O=C(CCC1CCCO1)Nc1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 2-hydroxy-5-[3-(oxolan-2-yl)propanoylamino]benzoic acid?
The InChIKey is UQGLZXAHGUEBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c16-12-5-3-9(8-11(12)14(18)19)15-13(17)6-4-10-2-1-7-20-10/h3,5,8,10,16H,1-2,4,6-7H2,(H,15,17)(H,18,19).
What are the key properties of 2-hydroxy-5-[3-(oxolan-2-yl)propanoylamino]benzoic acid?
2-hydroxy-5-[3-(oxolan-2-yl)propanoylamino]benzoic acid has a molecular weight of 279.29 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[3-(oxolan-2-yl)propanoylamino]benzoic acid is sourced from PubChem (CID 43353096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).