2-methoxy-5-[[[(2R)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]methyl]benzoic acid

C18H25NO6 — CID 125153162

IUPAC2-methoxy-5-[[[(2R)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]methyl]benzoic acid
SMILESCOc1ccc(CNC(=O)[C@@H](C)OC[C@H]2CCCCO2)cc1C(=O)O
InChIInChI=1S/C18H25NO6/c1-12(25-11-14-5-3-4-8-24-14)17(20)19-10-13-6-7-16(23-2)15(9-13)18(21)22/h6-7,9,12,14H,3-5,8,10-11H2,1-2H3,(H,19,20)(H,21,22)/t12-,14-/m1/s1
InChIKeySNDZXJXOEXLSTJ-TZMCWYRMSA-N
MW351.40 g/mol
LogP1.98
Rot. Bonds8

About 2-methoxy-5-[[[(2R)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]methyl]benzoic acid

2-methoxy-5-[[[(2R)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]methyl]benzoic acid (PubChem CID 125153162) has the molecular formula C18H25NO6 and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-methoxy-5-[[[(2R)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name2-methoxy-5-[[[(2R)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]methyl]benzoic acid
PubChem CID125153162
Molecular FormulaC18H25NO6
Molecular Weight351.40 g/mol
Exact Mass351.17
IUPAC Name2-methoxy-5-[[[(2R)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]methyl]benzoic acid
SMILESCOc1ccc(CNC(=O)[C@@H](C)OC[C@H]2CCCCO2)cc1C(=O)O
InChIInChI=1S/C18H25NO6/c1-12(25-11-14-5-3-4-8-24-14)17(20)19-10-13-6-7-16(23-2)15(9-13)18(21)22/h6-7,9,12,14H,3-5,8,10-11H2,1-2H3,(H,19,20)(H,21,22)/t12-,14-/m1/s1
InChIKeySNDZXJXOEXLSTJ-TZMCWYRMSA-N
XLogP1.98
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-5-[[[(2R)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]methyl]benzoic acid with MolForge

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Related Compounds

2-(4-fluorophenoxy)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide
CID 46469803
(2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 95150032
2-[4-[2-[2-(oxan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255675
3-[2-(oxan-2-ylmethoxy)propanoylamino]benzoic acid
CID 119219567
2-methoxy-4-(oxan-2-ylmethoxymethyl)benzoic acid
CID 106793954
3-[2-(oxan-2-ylmethoxy)propanoylamino]-2-phenylpropanoic acid
CID 119254705
N-[2-(4-aminophenyl)ethyl]-2-(oxolan-2-ylmethoxy)propanamide
CID 119548783
5-methyl-2-(oxan-2-ylmethoxy)benzoic acid
CID 55025159
5-[[2-(4-cyanophenoxy)propanoylamino]methyl]-2-methoxybenzoic acid
CID 45384516
methyl (2S)-2-[[(2R)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]-3-phenylpropanoate
CID 95156285
[(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate
CID 8729718
N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43591754

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[[(2R)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]methyl]benzoic acid?
The IUPAC name of 2-methoxy-5-[[[(2R)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]methyl]benzoic acid (CID 125153162) is 2-methoxy-5-[[[(2R)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]methyl]benzoic acid.
What is the SMILES notation for 2-methoxy-5-[[[(2R)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]methyl]benzoic acid?
The canonical SMILES for 2-methoxy-5-[[[(2R)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]methyl]benzoic acid is COc1ccc(CNC(=O)[C@@H](C)OC[C@H]2CCCCO2)cc1C(=O)O.
What is the InChIKey of 2-methoxy-5-[[[(2R)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]methyl]benzoic acid?
The InChIKey is SNDZXJXOEXLSTJ-TZMCWYRMSA-N. The full InChI is InChI=1S/C18H25NO6/c1-12(25-11-14-5-3-4-8-24-14)17(20)19-10-13-6-7-16(23-2)15(9-13)18(21)22/h6-7,9,12,14H,3-5,8,10-11H2,1-2H3,(H,19,20)(H,21,22)/t12-,14-/m1/s1.
What are the key properties of 2-methoxy-5-[[[(2R)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]methyl]benzoic acid?
2-methoxy-5-[[[(2R)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]methyl]benzoic acid has a molecular weight of 351.40 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[[(2R)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]methyl]benzoic acid is sourced from PubChem (CID 125153162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).