2-methyl-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]furan-3-carboxylic acid

C12H16N2O4 — CID 103254255

IUPAC2-methyl-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNCC2CCC(=O)N2)cc1C(=O)O
InChIInChI=1S/C12H16N2O4/c1-7-10(12(16)17)4-9(18-7)6-13-5-8-2-3-11(15)14-8/h4,8,13H,2-3,5-6H2,1H3,(H,14,15)(H,16,17)
InChIKeyLOPCLAZSQUSGSI-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.65
Rot. Bonds5

About 2-methyl-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]furan-3-carboxylic acid

2-methyl-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]furan-3-carboxylic acid (PubChem CID 103254255) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-methyl-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]furan-3-carboxylic acid
PubChem CID103254255
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-methyl-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNCC2CCC(=O)N2)cc1C(=O)O
InChIInChI=1S/C12H16N2O4/c1-7-10(12(16)17)4-9(18-7)6-13-5-8-2-3-11(15)14-8/h4,8,13H,2-3,5-6H2,1H3,(H,14,15)(H,16,17)
InChIKeyLOPCLAZSQUSGSI-UHFFFAOYSA-N
XLogP0.65
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 103254265
5-[[(1-cyclopropylpyrrolidin-3-yl)methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 103240552
5-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyrrolidin-2-one
CID 107529325
2-methyl-5-[[(1-methylpiperidin-2-yl)methylamino]methyl]furan-3-carboxylic acid
CID 103244476
5-[[(2-cyclopentylacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 54907246
5-[[(3-amino-3-oxopropyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 103238811
2-methyl-5-[[[3-(methylamino)-3-oxopropyl]amino]methyl]furan-3-carboxylic acid
CID 103245932
5-[[(2-carbamoylpyrrolidine-1-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61200264
2-methyl-5-[[[(4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]methyl]furan-3-carboxylic acid
CID 129352969
2-methyl-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]furan-3-carboxylic acid
CID 125152458
5-[(cyclohexylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 61199346
5-[(dicyclopropylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 61480904

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]furan-3-carboxylic acid (CID 103254255) is 2-methyl-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]furan-3-carboxylic acid is Cc1oc(CNCC2CCC(=O)N2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]furan-3-carboxylic acid?
The InChIKey is LOPCLAZSQUSGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-7-10(12(16)17)4-9(18-7)6-13-5-8-2-3-11(15)14-8/h4,8,13H,2-3,5-6H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-methyl-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]furan-3-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 103254255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).