2-methyl-5-[[methyl-[3-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]methyl]furan-3-carboxylic acid

C16H23NO6 — CID 125151720

IUPAC2-methyl-5-[[methyl-[3-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)CCOC[C@H]2CCCO2)cc1C(=O)O
InChIInChI=1S/C16H23NO6/c1-11-14(16(19)20)8-13(23-11)9-17(2)15(18)5-7-21-10-12-4-3-6-22-12/h8,12H,3-7,9-10H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyKWUQLZVNISCMMS-GFCCVEGCSA-N
MW325.36 g/mol
LogP1.83
Rot. Bonds8

About 2-methyl-5-[[methyl-[3-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]methyl]furan-3-carboxylic acid

2-methyl-5-[[methyl-[3-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]methyl]furan-3-carboxylic acid (PubChem CID 125151720) has the molecular formula C16H23NO6 and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-methyl-5-[[methyl-[3-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[methyl-[3-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]methyl]furan-3-carboxylic acid
PubChem CID125151720
Molecular FormulaC16H23NO6
Molecular Weight325.36 g/mol
Exact Mass325.15
IUPAC Name2-methyl-5-[[methyl-[3-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)CCOC[C@H]2CCCO2)cc1C(=O)O
InChIInChI=1S/C16H23NO6/c1-11-14(16(19)20)8-13(23-11)9-17(2)15(18)5-7-21-10-12-4-3-6-22-12/h8,12H,3-7,9-10H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyKWUQLZVNISCMMS-GFCCVEGCSA-N
XLogP1.83
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methyl-5-[[methyl-[3-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]methyl]furan-3-carboxylic acid with MolForge

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Related Compounds

5-[[3-(2-methoxyethoxy)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222528
5-[[4-ethoxybutanoyl(methyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222513
5-[[3-cyclohexylpropanoyl(methyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222584
2-methyl-5-[[methyl-[3-[(2R,5S)-5-methyloxolan-2-yl]propanoyl]amino]methyl]furan-3-carboxylic acid
CID 125132347
2-methyl-5-[[methyl(3-propan-2-yloxypropanoyl)amino]methyl]furan-3-carboxylic acid
CID 119221935
5-[[(2-cyclopentyloxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119221920
5-[[(2-methoxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222157
N-(3-aminopropyl)-N-methyl-3-(oxan-2-ylmethoxy)propanamide
CID 43254238
2-methyl-5-[[methyl(oxan-3-ylmethyl)amino]methyl]furan-3-carboxylic acid
CID 63713788
5-[[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 120686984
2-methyl-5-[[methyl-[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]furan-3-carboxylic acid
CID 120523017
N-benzyl-3-(oxolan-2-ylmethoxy)-N-propylpropanamide
CID 78875889

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[methyl-[3-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[methyl-[3-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]methyl]furan-3-carboxylic acid (CID 125151720) is 2-methyl-5-[[methyl-[3-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[methyl-[3-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[methyl-[3-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]methyl]furan-3-carboxylic acid is Cc1oc(CN(C)C(=O)CCOC[C@H]2CCCO2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[[methyl-[3-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]methyl]furan-3-carboxylic acid?
The InChIKey is KWUQLZVNISCMMS-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23NO6/c1-11-14(16(19)20)8-13(23-11)9-17(2)15(18)5-7-21-10-12-4-3-6-22-12/h8,12H,3-7,9-10H2,1-2H3,(H,19,20)/t12-/m1/s1.
What are the key properties of 2-methyl-5-[[methyl-[3-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[methyl-[3-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]methyl]furan-3-carboxylic acid has a molecular weight of 325.36 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[methyl-[3-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 125151720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).