(2R)-1-(5-phenoxyfuran-2-carbonyl)pyrrolidine-2-carboxylic acid

C16H15NO5 — CID 119370875

IUPAC(2R)-1-(5-phenoxyfuran-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)c1ccc(Oc2ccccc2)o1
InChIInChI=1S/C16H15NO5/c18-15(17-10-4-7-12(17)16(19)20)13-8-9-14(22-13)21-11-5-2-1-3-6-11/h1-3,5-6,8-9,12H,4,7,10H2,(H,19,20)/t12-/m1/s1
InChIKeyJMKMJKYMXJGOCX-GFCCVEGCSA-N
MW301.30 g/mol
LogP2.76
Rot. Bonds4

About (2R)-1-(5-phenoxyfuran-2-carbonyl)pyrrolidine-2-carboxylic acid

(2R)-1-(5-phenoxyfuran-2-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 119370875) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is (2R)-1-(5-phenoxyfuran-2-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(5-phenoxyfuran-2-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID119370875
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name(2R)-1-(5-phenoxyfuran-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)c1ccc(Oc2ccccc2)o1
InChIInChI=1S/C16H15NO5/c18-15(17-10-4-7-12(17)16(19)20)13-8-9-14(22-13)21-11-5-2-1-3-6-11/h1-3,5-6,8-9,12H,4,7,10H2,(H,19,20)/t12-/m1/s1
InChIKeyJMKMJKYMXJGOCX-GFCCVEGCSA-N
XLogP2.76
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-phenoxyfuran-2-yl)methanone
CID 119650375
[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride
CID 119650374
1-[5-(methoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355659
1-(5-bromofuran-2-carbonyl)azocane-2-carboxylic acid
CID 114239693
1-[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 119356795
1-[5-(4-acetylphenyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355877
1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 43209795
(2S)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 10508341
(2S)-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-2-carboxylic acid
CID 66264410
(2S)-1-[3-[(2S)-2-carboxypyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 11142918
(2R)-1-(2-aminobenzoyl)pyrrolidine-2-carboxylic acid
CID 78923013
1-[5-(2-carboxypyrrolidine-1-carbonyl)thiophene-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 22717277

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-phenoxyfuran-2-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(5-phenoxyfuran-2-carbonyl)pyrrolidine-2-carboxylic acid (CID 119370875) is (2R)-1-(5-phenoxyfuran-2-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(5-phenoxyfuran-2-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(5-phenoxyfuran-2-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)c1ccc(Oc2ccccc2)o1.
What is the InChIKey of (2R)-1-(5-phenoxyfuran-2-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is JMKMJKYMXJGOCX-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H15NO5/c18-15(17-10-4-7-12(17)16(19)20)13-8-9-14(22-13)21-11-5-2-1-3-6-11/h1-3,5-6,8-9,12H,4,7,10H2,(H,19,20)/t12-/m1/s1.
What are the key properties of (2R)-1-(5-phenoxyfuran-2-carbonyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(5-phenoxyfuran-2-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 301.30 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5-phenoxyfuran-2-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119370875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).