1-(5-ethyl-4-methylfuran-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid

C14H19NO5 — CID 120534474

IUPAC1-(5-ethyl-4-methylfuran-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCCc1oc(C(=O)N2CC(OC)CC2C(=O)O)cc1C
InChIInChI=1S/C14H19NO5/c1-4-11-8(2)5-12(20-11)13(16)15-7-9(19-3)6-10(15)14(17)18/h5,9-10H,4,6-7H2,1-3H3,(H,17,18)
InChIKeyQFWZMRMQMQRMSG-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.46
Rot. Bonds4

About 1-(5-ethyl-4-methylfuran-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid

1-(5-ethyl-4-methylfuran-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid (PubChem CID 120534474) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-(5-ethyl-4-methylfuran-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-ethyl-4-methylfuran-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
PubChem CID120534474
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name1-(5-ethyl-4-methylfuran-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCCc1oc(C(=O)N2CC(OC)CC2C(=O)O)cc1C
InChIInChI=1S/C14H19NO5/c1-4-11-8(2)5-12(20-11)13(16)15-7-9(19-3)6-10(15)14(17)18/h5,9-10H,4,6-7H2,1-3H3,(H,17,18)
InChIKeyQFWZMRMQMQRMSG-UHFFFAOYSA-N
XLogP1.46
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-ethyl-4-methylfuran-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4,5-diethylfuran-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 120689333
1-(3,5-dibromobenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 107971197
4-methoxy-1-(2-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 24694266
1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 66122078
1-(3,5-dichlorobenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43099378
(4,5-diethylfuran-2-yl)-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 128966074
1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43359718
1-(2-hydroxy-4-methylbenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 24690196
4-methoxy-1-[3-(3-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 62364996
4-methoxy-1-(5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 24700309
4-methoxy-1-[2-(2-methylphenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 24694883
(3S)-4-(5-ethyl-4-methylfuran-2-carbonyl)morpholine-3-carboxamide
CID 97141386

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-4-methylfuran-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(5-ethyl-4-methylfuran-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid (CID 120534474) is 1-(5-ethyl-4-methylfuran-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-ethyl-4-methylfuran-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(5-ethyl-4-methylfuran-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid is CCc1oc(C(=O)N2CC(OC)CC2C(=O)O)cc1C.
What is the InChIKey of 1-(5-ethyl-4-methylfuran-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid?
The InChIKey is QFWZMRMQMQRMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-4-11-8(2)5-12(20-11)13(16)15-7-9(19-3)6-10(15)14(17)18/h5,9-10H,4,6-7H2,1-3H3,(H,17,18).
What are the key properties of 1-(5-ethyl-4-methylfuran-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid?
1-(5-ethyl-4-methylfuran-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-4-methylfuran-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 120534474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).