2-[2-[(2-methyloxolane-3-carbonyl)amino]ethyl]benzoic acid

C15H19NO4 — CID 79758021

IUPAC2-[2-[(2-methyloxolane-3-carbonyl)amino]ethyl]benzoic acid
SMILESCC1OCCC1C(=O)NCCc1ccccc1C(=O)O
InChIInChI=1S/C15H19NO4/c1-10-12(7-9-20-10)14(17)16-8-6-11-4-2-3-5-13(11)15(18)19/h2-5,10,12H,6-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyHKVOVFONUCUHCQ-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.47
Rot. Bonds5

About 2-[2-[(2-methyloxolane-3-carbonyl)amino]ethyl]benzoic acid

2-[2-[(2-methyloxolane-3-carbonyl)amino]ethyl]benzoic acid (PubChem CID 79758021) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[2-[(2-methyloxolane-3-carbonyl)amino]ethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[(2-methyloxolane-3-carbonyl)amino]ethyl]benzoic acid
PubChem CID79758021
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-[2-[(2-methyloxolane-3-carbonyl)amino]ethyl]benzoic acid
SMILESCC1OCCC1C(=O)NCCc1ccccc1C(=O)O
InChIInChI=1S/C15H19NO4/c1-10-12(7-9-20-10)14(17)16-8-6-11-4-2-3-5-13(11)15(18)19/h2-5,10,12H,6-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyHKVOVFONUCUHCQ-UHFFFAOYSA-N
XLogP1.47
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(2-methyloxolane-3-carbonyl)amino]ethyl]benzoic acid
CID 79750692
2-[2-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]benzoic acid
CID 107000422
2-methyl-N-phenyloxolane-3-carboxamide
CID 79758849
N-(2-amino-2-phenylethyl)-2-methyloxolane-3-carboxamide
CID 79760131
N-[2-(bromomethyl)phenyl]-2-methyloxolane-3-carboxamide
CID 114309567
2-[2-(oxan-2-ylmethylamino)ethyl]benzoic acid
CID 113425613
N-ethyl-2-methyloxolane-3-carboxamide
CID 79758522
2-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]benzoic acid
CID 78966496
2-[2-(cyclopentylamino)ethyl]benzoic acid
CID 82934034
2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974497
(2S)-2-[(2-methyloxolane-3-carbonyl)amino]-3-phenylpropanoic acid
CID 79750162
N-[[3-(hydroxymethyl)phenyl]methyl]-2-methyloxolane-3-carboxamide
CID 79759928

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methyloxolane-3-carbonyl)amino]ethyl]benzoic acid?
The IUPAC name of 2-[2-[(2-methyloxolane-3-carbonyl)amino]ethyl]benzoic acid (CID 79758021) is 2-[2-[(2-methyloxolane-3-carbonyl)amino]ethyl]benzoic acid.
What is the SMILES notation for 2-[2-[(2-methyloxolane-3-carbonyl)amino]ethyl]benzoic acid?
The canonical SMILES for 2-[2-[(2-methyloxolane-3-carbonyl)amino]ethyl]benzoic acid is CC1OCCC1C(=O)NCCc1ccccc1C(=O)O.
What is the InChIKey of 2-[2-[(2-methyloxolane-3-carbonyl)amino]ethyl]benzoic acid?
The InChIKey is HKVOVFONUCUHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10-12(7-9-20-10)14(17)16-8-6-11-4-2-3-5-13(11)15(18)19/h2-5,10,12H,6-9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[2-[(2-methyloxolane-3-carbonyl)amino]ethyl]benzoic acid?
2-[2-[(2-methyloxolane-3-carbonyl)amino]ethyl]benzoic acid has a molecular weight of 277.32 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methyloxolane-3-carbonyl)amino]ethyl]benzoic acid is sourced from PubChem (CID 79758021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).