1-[5-(methoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid

C12H15NO5 — CID 119355659

IUPAC1-[5-(methoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCOCc1ccc(C(=O)N2CCCC2C(=O)O)o1
InChIInChI=1S/C12H15NO5/c1-17-7-8-4-5-10(18-8)11(14)13-6-2-3-9(13)12(15)16/h4-5,9H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyJIBFJVSJYDUBNP-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.12
Rot. Bonds4

About 1-[5-(methoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid

1-[5-(methoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 119355659) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 1-[5-(methoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[5-(methoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID119355659
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name1-[5-(methoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCOCc1ccc(C(=O)N2CCCC2C(=O)O)o1
InChIInChI=1S/C12H15NO5/c1-17-7-8-4-5-10(18-8)11(14)13-6-2-3-9(13)12(15)16/h4-5,9H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyJIBFJVSJYDUBNP-UHFFFAOYSA-N
XLogP1.12
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-(methoxymethyl)furan-2-carbonyl]pyrrolidine-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-[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 119356795
(2S)-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-2-carboxylic acid
CID 66264410
1-[3-[[5-(methoxymethyl)furan-2-carbonyl]amino]benzoyl]piperidine-2-carboxylic acid
CID 119243546
[2-(4-fluorophenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 78840753
1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]piperidine-2-carboxylic acid
CID 91644849
(2R)-1-(5-phenoxyfuran-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370875
1-[5-(4-acetylphenyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355877
[5-(methoxymethyl)furan-2-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488456
[5-(aminomethyl)furan-2-yl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 126775705
[5-(aminomethyl)furan-2-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 124686131
[5-(methoxymethyl)furan-2-yl]-[(2R,3R,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]methanone
CID 56861335
1-(5-bromofuran-2-carbonyl)azocane-2-carboxylic acid
CID 114239693

Frequently Asked Questions

What is the IUPAC name of 1-[5-(methoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[5-(methoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid (CID 119355659) is 1-[5-(methoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[5-(methoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[5-(methoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid is COCc1ccc(C(=O)N2CCCC2C(=O)O)o1.
What is the InChIKey of 1-[5-(methoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is JIBFJVSJYDUBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-17-7-8-4-5-10(18-8)11(14)13-6-2-3-9(13)12(15)16/h4-5,9H,2-3,6-7H2,1H3,(H,15,16).
What are the key properties of 1-[5-(methoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid?
1-[5-(methoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 253.25 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(methoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119355659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).