2-methyl-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]furan-3-carboxylic acid

C13H17NO5 — CID 125152458

IUPAC2-methyl-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)C[C@@H]2CCOC2)cc1C(=O)O
InChIInChI=1S/C13H17NO5/c1-8-11(13(16)17)5-10(19-8)6-14-12(15)4-9-2-3-18-7-9/h5,9H,2-4,6-7H2,1H3,(H,14,15)(H,16,17)/t9-/m0/s1
InChIKeyOREYIBACDYFCMW-VIFPVBQESA-N
MW267.28 g/mol
LogP1.33
Rot. Bonds5

About 2-methyl-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]furan-3-carboxylic acid

2-methyl-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]furan-3-carboxylic acid (PubChem CID 125152458) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-methyl-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]furan-3-carboxylic acid
PubChem CID125152458
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name2-methyl-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)C[C@@H]2CCOC2)cc1C(=O)O
InChIInChI=1S/C13H17NO5/c1-8-11(13(16)17)5-10(19-8)6-14-12(15)4-9-2-3-18-7-9/h5,9H,2-4,6-7H2,1H3,(H,14,15)(H,16,17)/t9-/m0/s1
InChIKeyOREYIBACDYFCMW-VIFPVBQESA-N
XLogP1.33
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]furan-3-carboxylic acid with MolForge

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Related Compounds

5-[[(2-cyclopentylacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 54907246
methyl 2-methyl-5-[(oxolan-3-ylmethylamino)methyl]furan-3-carboxylate
CID 54932235
2-methyl-5-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]furan-3-carboxylic acid
CID 61203496
2-methoxy-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]benzoic acid
CID 125153443
5-[[[5-(ethylamino)-5-oxopentanoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226813
5-[[2-[(2-cyclohexylacetyl)amino]propanoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226239
5-[(cyclohexylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 61199346
2-methyl-5-[(4-methylpentanoylamino)methyl]furan-3-carboxylic acid
CID 54907438
2-methyl-5-[[3-[(2R,5S)-5-methyloxolan-2-yl]propanoylamino]methyl]furan-3-carboxylic acid
CID 125148333
5-[(dicyclopropylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 61480904
5-[[(2-butoxyacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226536
2-methyl-5-[(oxolan-3-ylmethylamino)methyl]-1H-pyrrole-3-carboxylic acid
CID 114273587

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]furan-3-carboxylic acid (CID 125152458) is 2-methyl-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]furan-3-carboxylic acid is Cc1oc(CNC(=O)C[C@@H]2CCOC2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]furan-3-carboxylic acid?
The InChIKey is OREYIBACDYFCMW-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17NO5/c1-8-11(13(16)17)5-10(19-8)6-14-12(15)4-9-2-3-18-7-9/h5,9H,2-4,6-7H2,1H3,(H,14,15)(H,16,17)/t9-/m0/s1.
What are the key properties of 2-methyl-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]furan-3-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 125152458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).