5-(3-propan-2-ylpyrrolidine-1-carbonyl)furan-3-carboxylic acid

C13H17NO4 — CID 104607879

IUPAC5-(3-propan-2-ylpyrrolidine-1-carbonyl)furan-3-carboxylic acid
SMILESCC(C)C1CCN(C(=O)c2cc(C(=O)O)co2)C1
InChIInChI=1S/C13H17NO4/c1-8(2)9-3-4-14(6-9)12(15)11-5-10(7-18-11)13(16)17/h5,7-9H,3-4,6H2,1-2H3,(H,16,17)
InChIKeyOHYSAMKOCVNTBG-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.10
Rot. Bonds3

About 5-(3-propan-2-ylpyrrolidine-1-carbonyl)furan-3-carboxylic acid

5-(3-propan-2-ylpyrrolidine-1-carbonyl)furan-3-carboxylic acid (PubChem CID 104607879) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 5-(3-propan-2-ylpyrrolidine-1-carbonyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-propan-2-ylpyrrolidine-1-carbonyl)furan-3-carboxylic acid
PubChem CID104607879
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name5-(3-propan-2-ylpyrrolidine-1-carbonyl)furan-3-carboxylic acid
SMILESCC(C)C1CCN(C(=O)c2cc(C(=O)O)co2)C1
InChIInChI=1S/C13H17NO4/c1-8(2)9-3-4-14(6-9)12(15)11-5-10(7-18-11)13(16)17/h5,7-9H,3-4,6H2,1-2H3,(H,16,17)
InChIKeyOHYSAMKOCVNTBG-UHFFFAOYSA-N
XLogP2.10
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,4,5-trimethylpiperazine-1-carbonyl)furan-3-carboxylic acid
CID 114539304
5-(3,5-dimethylpiperidine-1-carbonyl)furan-3-carboxylic acid
CID 104607104
furan-2-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 115686874
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)furan-3-carboxylic acid
CID 104607794
5-(2-ethylmorpholine-4-carbonyl)furan-3-carboxylic acid
CID 113432240
5-(4-methylpiperazine-1-carbonyl)furan-3-carboxylic acid
CID 104606942
5-(4-tert-butylazepane-1-carbonyl)furan-3-carboxylic acid
CID 104607642
5-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carbonyl)furan-3-carboxylic acid
CID 104607770
5-(4-propan-2-ylpiperidine-1-carbonyl)furan-2-carboxylic acid
CID 113354315
[2-(aminomethyl)-4-pyridinyl]-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 113417381
3-(4-propan-2-ylpiperidine-1-carbonyl)benzoic acid
CID 103925973
1-[(3R)-3-propan-2-ylpyrrolidin-1-yl]ethanone
CID 90251705

Frequently Asked Questions

What is the IUPAC name of 5-(3-propan-2-ylpyrrolidine-1-carbonyl)furan-3-carboxylic acid?
The IUPAC name of 5-(3-propan-2-ylpyrrolidine-1-carbonyl)furan-3-carboxylic acid (CID 104607879) is 5-(3-propan-2-ylpyrrolidine-1-carbonyl)furan-3-carboxylic acid.
What is the SMILES notation for 5-(3-propan-2-ylpyrrolidine-1-carbonyl)furan-3-carboxylic acid?
The canonical SMILES for 5-(3-propan-2-ylpyrrolidine-1-carbonyl)furan-3-carboxylic acid is CC(C)C1CCN(C(=O)c2cc(C(=O)O)co2)C1.
What is the InChIKey of 5-(3-propan-2-ylpyrrolidine-1-carbonyl)furan-3-carboxylic acid?
The InChIKey is OHYSAMKOCVNTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-8(2)9-3-4-14(6-9)12(15)11-5-10(7-18-11)13(16)17/h5,7-9H,3-4,6H2,1-2H3,(H,16,17).
What are the key properties of 5-(3-propan-2-ylpyrrolidine-1-carbonyl)furan-3-carboxylic acid?
5-(3-propan-2-ylpyrrolidine-1-carbonyl)furan-3-carboxylic acid has a molecular weight of 251.28 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propan-2-ylpyrrolidine-1-carbonyl)furan-3-carboxylic acid is sourced from PubChem (CID 104607879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).