3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoic acid

C19H19NO5 — CID 129465786

IUPAC3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoic acid
SMILESO=C(O)c1cccc(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c1
InChIInChI=1S/C19H19NO5/c21-18(13-3-1-4-14(11-13)19(22)23)20-15-6-8-16(9-7-15)25-12-17-5-2-10-24-17/h1,3-4,6-9,11,17H,2,5,10,12H2,(H,20,21)(H,22,23)/t17-/m0/s1
InChIKeyAEQBXKRKEBTWPE-KRWDZBQOSA-N
MW341.36 g/mol
LogP3.19
Rot. Bonds6

About 3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoic acid

3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoic acid (PubChem CID 129465786) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is 3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoic acid
PubChem CID129465786
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoic acid
SMILESO=C(O)c1cccc(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c1
InChIInChI=1S/C19H19NO5/c21-18(13-3-1-4-14(11-13)19(22)23)20-15-6-8-16(9-7-15)25-12-17-5-2-10-24-17/h1,3-4,6-9,11,17H,2,5,10,12H2,(H,20,21)(H,22,23)/t17-/m0/s1
InChIKeyAEQBXKRKEBTWPE-KRWDZBQOSA-N
XLogP3.19
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoic acid with MolForge

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Related Compounds

methyl 3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoate
CID 41442893
3-fluoro-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 42427188
3-(2-methylpropoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17140356
2-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]benzoic acid
CID 4957872
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-4-phenylbenzamide
CID 9294955
3-butan-2-yloxy-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17149811
2-methyl-2-[4-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]phenyl]propanoic acid
CID 119254234
3-methyl-N-[4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]phenyl]benzamide
CID 54821431
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17141902
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 4786441

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoic acid?
The IUPAC name of 3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoic acid (CID 129465786) is 3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoic acid is O=C(O)c1cccc(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c1.
What is the InChIKey of 3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoic acid?
The InChIKey is AEQBXKRKEBTWPE-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19NO5/c21-18(13-3-1-4-14(11-13)19(22)23)20-15-6-8-16(9-7-15)25-12-17-5-2-10-24-17/h1,3-4,6-9,11,17H,2,5,10,12H2,(H,20,21)(H,22,23)/t17-/m0/s1.
What are the key properties of 3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoic acid?
3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoic acid has a molecular weight of 341.36 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 129465786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).