3-amino-1-(5-methylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid

C11H14N2O4 — CID 107323265

IUPAC3-amino-1-(5-methylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1ccc(C(=O)N2CCC(N)(C(=O)O)C2)o1
InChIInChI=1S/C11H14N2O4/c1-7-2-3-8(17-7)9(14)13-5-4-11(12,6-13)10(15)16/h2-3H,4-6,12H2,1H3,(H,15,16)
InChIKeyPEPPSVLWLNLECF-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.22
Rot. Bonds2

About 3-amino-1-(5-methylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid

3-amino-1-(5-methylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 107323265) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-amino-1-(5-methylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(5-methylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID107323265
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name3-amino-1-(5-methylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1ccc(C(=O)N2CCC(N)(C(=O)O)C2)o1
InChIInChI=1S/C11H14N2O4/c1-7-2-3-8(17-7)9(14)13-5-4-11(12,6-13)10(15)16/h2-3H,4-6,12H2,1H3,(H,15,16)
InChIKeyPEPPSVLWLNLECF-UHFFFAOYSA-N
XLogP0.22
TPSA96.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-1-(5-methylfuran-2-carbonyl)pyrrolidine-3-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

3-amino-1-(3,5-dimethylbenzoyl)pyrrolidine-3-carboxylic acid
CID 107323029
3-amino-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 107323724
(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(5-methylfuran-2-yl)methanone
CID 155876019
3-amino-1-[3-(4-methylphenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 107323346
2-ethyl-8-(5-methylfuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 155870146
N'-hydroxy-4-methyl-1-(5-methylfuran-2-carbonyl)piperidine-4-carboximidamide
CID 107162414
(5S,9R)-N-methyl-2-(5-methylfuran-2-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 125215989
3-amino-1-(4-iodobenzoyl)pyrrolidine-3-carboxylic acid
CID 107323592
3-amino-1-(4-chlorobenzoyl)pyrrolidine-3-carboxylic acid
CID 107323378
3-amino-1-(4-fluoro-2-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 107323009
3-amino-1-(2-hydroxy-4-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 107323662
(3aS,8aS)-2-acetyl-5-(5-methylfuran-2-carbonyl)-3,3a,4,6,7,8-hexahydro-1H-pyrrolo[3,4-c]azepine-8a-carboxylic acid
CID 124801011

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-methylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(5-methylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid (CID 107323265) is 3-amino-1-(5-methylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(5-methylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(5-methylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid is Cc1ccc(C(=O)N2CCC(N)(C(=O)O)C2)o1.
What is the InChIKey of 3-amino-1-(5-methylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is PEPPSVLWLNLECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-7-2-3-8(17-7)9(14)13-5-4-11(12,6-13)10(15)16/h2-3H,4-6,12H2,1H3,(H,15,16).
What are the key properties of 3-amino-1-(5-methylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid?
3-amino-1-(5-methylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-methylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107323265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).