4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid

C15H19NO5 — CID 97233672

IUPAC4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid
SMILESC[C@@H](OC[C@H]1CCCO1)C(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H19NO5/c1-10(21-9-13-3-2-8-20-13)14(17)16-12-6-4-11(5-7-12)15(18)19/h4-7,10,13H,2-3,8-9H2,1H3,(H,16,17)(H,18,19)/t10-,13-/m1/s1
InChIKeyFGXXSRSQGPPQAV-ZWNOBZJWSA-N
MW293.32 g/mol
LogP1.91
Rot. Bonds6

About 4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid

4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid (PubChem CID 97233672) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid
PubChem CID97233672
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid
SMILESC[C@@H](OC[C@H]1CCCO1)C(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H19NO5/c1-10(21-9-13-3-2-8-20-13)14(17)16-12-6-4-11(5-7-12)15(18)19/h4-7,10,13H,2-3,8-9H2,1H3,(H,16,17)(H,18,19)/t10-,13-/m1/s1
InChIKeyFGXXSRSQGPPQAV-ZWNOBZJWSA-N
XLogP1.91
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid with MolForge

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Related Compounds

N-(4-acetylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 48845435
N-methyl-4-[[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzamide
CID 95247449
N-(4-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 43097898
3-[2-(oxan-2-ylmethoxy)propanoylamino]benzoic acid
CID 119219567
N-(3-chloro-4-piperidin-1-ylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 48861457
(2R)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 94795987
N-[3-chloro-4-(1-phenylethylamino)phenyl]-2-(oxolan-2-ylmethoxy)propanamide
CID 49263668
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(oxolan-2-ylmethoxy)propanamide
CID 120566641
N-(1-ethylindol-5-yl)-2-(oxolan-2-ylmethoxy)propanamide
CID 49493559
N-(5-tert-butyl-2-hydroxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 51126483
N-[3-(tert-butylsulfamoyl)phenyl]-2-(oxolan-2-ylmethoxy)propanamide
CID 48849651
(2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide
CID 94824353

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid?
The IUPAC name of 4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid (CID 97233672) is 4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid.
What is the SMILES notation for 4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid?
The canonical SMILES for 4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid is C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid?
The InChIKey is FGXXSRSQGPPQAV-ZWNOBZJWSA-N. The full InChI is InChI=1S/C15H19NO5/c1-10(21-9-13-3-2-8-20-13)14(17)16-12-6-4-11(5-7-12)15(18)19/h4-7,10,13H,2-3,8-9H2,1H3,(H,16,17)(H,18,19)/t10-,13-/m1/s1.
What are the key properties of 4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid?
4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid has a molecular weight of 293.32 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid is sourced from PubChem (CID 97233672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).