2-methyl-5-[[3-[(2R,5S)-5-methyloxolan-2-yl]propanoylamino]methyl]furan-3-carboxylic acid

C15H21NO5 — CID 125148333

IUPAC2-methyl-5-[[3-[(2R,5S)-5-methyloxolan-2-yl]propanoylamino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)CC[C@H]2CC[C@H](C)O2)cc1C(=O)O
InChIInChI=1S/C15H21NO5/c1-9-3-4-11(20-9)5-6-14(17)16-8-12-7-13(15(18)19)10(2)21-12/h7,9,11H,3-6,8H2,1-2H3,(H,16,17)(H,18,19)/t9-,11+/m0/s1
InChIKeyBFFCHADJUYXHIQ-GXSJLCMTSA-N
MW295.34 g/mol
LogP2.25
Rot. Bonds6

About 2-methyl-5-[[3-[(2R,5S)-5-methyloxolan-2-yl]propanoylamino]methyl]furan-3-carboxylic acid

2-methyl-5-[[3-[(2R,5S)-5-methyloxolan-2-yl]propanoylamino]methyl]furan-3-carboxylic acid (PubChem CID 125148333) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-methyl-5-[[3-[(2R,5S)-5-methyloxolan-2-yl]propanoylamino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[3-[(2R,5S)-5-methyloxolan-2-yl]propanoylamino]methyl]furan-3-carboxylic acid
PubChem CID125148333
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name2-methyl-5-[[3-[(2R,5S)-5-methyloxolan-2-yl]propanoylamino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)CC[C@H]2CC[C@H](C)O2)cc1C(=O)O
InChIInChI=1S/C15H21NO5/c1-9-3-4-11(20-9)5-6-14(17)16-8-12-7-13(15(18)19)10(2)21-12/h7,9,11H,3-6,8H2,1-2H3,(H,16,17)(H,18,19)/t9-,11+/m0/s1
InChIKeyBFFCHADJUYXHIQ-GXSJLCMTSA-N
XLogP2.25
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-5-[[3-[(2R,5S)-5-methyloxolan-2-yl]propanoylamino]methyl]furan-3-carboxylic acid with MolForge

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Related Compounds

2-methyl-5-[[methyl-[3-[(2R,5S)-5-methyloxolan-2-yl]propanoyl]amino]methyl]furan-3-carboxylic acid
CID 125132347
2-methyl-5-[(4-methylpentanoylamino)methyl]furan-3-carboxylic acid
CID 54907438
5-[[(2-cyclopentylacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 54907246
5-[[[5-(ethylamino)-5-oxopentanoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226813
2-methyl-5-[[3-(2-methylphenyl)propanoylamino]methyl]furan-3-carboxylic acid
CID 119226401
5-[(4-methoxypentanoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 113382102
2-methyl-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]furan-3-carboxylic acid
CID 125152458
5-[[[2-(2,6-dimethylphenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 120687190
2-methyl-5-[[(2-methylcyclohexyl)carbamoylamino]methyl]furan-3-carboxylic acid
CID 61191190
2-methyl-5-[[4-(4-methylphenyl)butanoylamino]methyl]furan-3-carboxylic acid
CID 119226205
5-[[3-(2,4-dimethylphenoxy)propanoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226434
5-[[(2-butoxyacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226536

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[3-[(2R,5S)-5-methyloxolan-2-yl]propanoylamino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[3-[(2R,5S)-5-methyloxolan-2-yl]propanoylamino]methyl]furan-3-carboxylic acid (CID 125148333) is 2-methyl-5-[[3-[(2R,5S)-5-methyloxolan-2-yl]propanoylamino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[3-[(2R,5S)-5-methyloxolan-2-yl]propanoylamino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[3-[(2R,5S)-5-methyloxolan-2-yl]propanoylamino]methyl]furan-3-carboxylic acid is Cc1oc(CNC(=O)CC[C@H]2CC[C@H](C)O2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[[3-[(2R,5S)-5-methyloxolan-2-yl]propanoylamino]methyl]furan-3-carboxylic acid?
The InChIKey is BFFCHADJUYXHIQ-GXSJLCMTSA-N. The full InChI is InChI=1S/C15H21NO5/c1-9-3-4-11(20-9)5-6-14(17)16-8-12-7-13(15(18)19)10(2)21-12/h7,9,11H,3-6,8H2,1-2H3,(H,16,17)(H,18,19)/t9-,11+/m0/s1.
What are the key properties of 2-methyl-5-[[3-[(2R,5S)-5-methyloxolan-2-yl]propanoylamino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[3-[(2R,5S)-5-methyloxolan-2-yl]propanoylamino]methyl]furan-3-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[3-[(2R,5S)-5-methyloxolan-2-yl]propanoylamino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 125148333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).