(3R)-1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]pyrrolidine-3-carboxylic acid

C19H21NO5 — CID 129415278

IUPAC(3R)-1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCc1ccc(OCc2ccc(C(=O)N3CC[C@@H](C(=O)O)C3)o2)c(C)c1
InChIInChI=1S/C19H21NO5/c1-12-3-5-16(13(2)9-12)24-11-15-4-6-17(25-15)18(21)20-8-7-14(10-20)19(22)23/h3-6,9,14H,7-8,10-11H2,1-2H3,(H,22,23)/t14-/m1/s1
InChIKeyRFIRMLMXUPFNHK-CQSZACIVSA-N
MW343.38 g/mol
LogP3.02
Rot. Bonds5

About (3R)-1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]pyrrolidine-3-carboxylic acid

(3R)-1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 129415278) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is (3R)-1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]pyrrolidine-3-carboxylic acid
PubChem CID129415278
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name(3R)-1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCc1ccc(OCc2ccc(C(=O)N3CC[C@@H](C(=O)O)C3)o2)c(C)c1
InChIInChI=1S/C19H21NO5/c1-12-3-5-16(13(2)9-12)24-11-15-4-6-17(25-15)18(21)20-8-7-14(10-20)19(22)23/h3-6,9,14H,7-8,10-11H2,1-2H3,(H,22,23)/t14-/m1/s1
InChIKeyRFIRMLMXUPFNHK-CQSZACIVSA-N
XLogP3.02
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[5-[(2,4-dimethylphenoxy)methyl]furan-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

N-cyclopropyl-1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxamide
CID 49351081
[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492924
1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]piperidine-2-carboxylic acid
CID 91644849
azepan-1-yl-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methanone
CID 35524316
4-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119230206
(3R)-1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxylic acid
CID 125415613
[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119651643
2,3-dihydro-1,4-benzoxazin-4-yl-[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanone
CID 60567622
4-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]-3,3-dimethylpiperazin-2-one
CID 126809780
5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxypropyl)furan-2-carboxamide
CID 110902991
(2R)-2-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]propanoic acid
CID 119244528
5-[(2,4-dimethylphenoxy)methyl]-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]furan-2-carboxamide
CID 139012930

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]pyrrolidine-3-carboxylic acid (CID 129415278) is (3R)-1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]pyrrolidine-3-carboxylic acid is Cc1ccc(OCc2ccc(C(=O)N3CC[C@@H](C(=O)O)C3)o2)c(C)c1.
What is the InChIKey of (3R)-1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is RFIRMLMXUPFNHK-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21NO5/c1-12-3-5-16(13(2)9-12)24-11-15-4-6-17(25-15)18(21)20-8-7-14(10-20)19(22)23/h3-6,9,14H,7-8,10-11H2,1-2H3,(H,22,23)/t14-/m1/s1.
What are the key properties of (3R)-1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]pyrrolidine-3-carboxylic acid?
(3R)-1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 343.38 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 129415278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).