1-(furan-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

C10H11NO5 — CID 2765111

IUPAC1-(furan-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)c1ccco1
InChIInChI=1S/C10H11NO5/c12-6-4-7(10(14)15)11(5-6)9(13)8-2-1-3-16-8/h1-3,6-7,12H,4-5H2,(H,14,15)
InChIKeyYYSZYHSKHCOUJN-UHFFFAOYSA-N
MW225.20 g/mol
LogP-0.06
Rot. Bonds2

About 1-(furan-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

1-(furan-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 2765111) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID2765111
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name1-(furan-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)c1ccco1
InChIInChI=1S/C10H11NO5/c12-6-4-7(10(14)15)11(5-6)9(13)8-2-1-3-16-8/h1-3,6-7,12H,4-5H2,(H,14,15)
InChIKeyYYSZYHSKHCOUJN-UHFFFAOYSA-N
XLogP-0.06
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,4S)-1-(furan-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 1480349
(2R,4R)-4-hydroxy-1-(2-methylfuran-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 30055184
(2S,4R)-4-hydroxy-1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 28778308
(2S,4S)-1-(5-chlorofuran-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 28790231
1-[3-(furan-2-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43209855
[2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(furan-2-yl)methanone
CID 128985677
furan-2-yl-(2-methylaziridin-1-yl)methanone
CID 71425455
(2S)-1-(2-bromobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61151791
(2S)-4-hydroxy-1-(1H-pyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 61151805
(2S,4R)-1-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63842705
1-(furan-2-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107433203
(2S,4R)-1-(4-chlorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30051868

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(furan-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 2765111) is 1-(furan-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(furan-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(furan-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1C(=O)c1ccco1.
What is the InChIKey of 1-(furan-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is YYSZYHSKHCOUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c12-6-4-7(10(14)15)11(5-6)9(13)8-2-1-3-16-8/h1-3,6-7,12H,4-5H2,(H,14,15).
What are the key properties of 1-(furan-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
1-(furan-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 225.20 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 2765111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).