(2S)-4-hydroxy-1-(3-methylfuran-2-carbonyl)pyrrolidine-2-carboxylic acid

C11H13NO5 — CID 61151938

IUPAC(2S)-4-hydroxy-1-(3-methylfuran-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1ccoc1C(=O)N1CC(O)C[C@H]1C(=O)O
InChIInChI=1S/C11H13NO5/c1-6-2-3-17-9(6)10(14)12-5-7(13)4-8(12)11(15)16/h2-3,7-8,13H,4-5H2,1H3,(H,15,16)/t7?,8-/m0/s1
InChIKeyOIHIYLPZJAWCJM-MQWKRIRWSA-N
MW239.23 g/mol
LogP0.25
Rot. Bonds2

About (2S)-4-hydroxy-1-(3-methylfuran-2-carbonyl)pyrrolidine-2-carboxylic acid

(2S)-4-hydroxy-1-(3-methylfuran-2-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 61151938) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is (2S)-4-hydroxy-1-(3-methylfuran-2-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-1-(3-methylfuran-2-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID61151938
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name(2S)-4-hydroxy-1-(3-methylfuran-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1ccoc1C(=O)N1CC(O)C[C@H]1C(=O)O
InChIInChI=1S/C11H13NO5/c1-6-2-3-17-9(6)10(14)12-5-7(13)4-8(12)11(15)16/h2-3,7-8,13H,4-5H2,1H3,(H,15,16)/t7?,8-/m0/s1
InChIKeyOIHIYLPZJAWCJM-MQWKRIRWSA-N
XLogP0.25
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4R)-4-hydroxy-1-(2-methylfuran-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 30055184
(2S,4R)-4-hydroxy-1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 66335401
3-(3-methylfuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 24711279
1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylic acid
CID 3150890
1-(furan-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 2765111
[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 100719381
(2S)-1-(3-methylfuran-2-carbonyl)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
CID 95557246
(2S)-4-hydroxy-1-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 61423779
(2S,4S)-4-hydroxy-1-(4-methylthiophene-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 79802956
[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 128965922
[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 129481486
(2S,4S)-1-(4-chloro-3-methylbenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 113397107

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-1-(3-methylfuran-2-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-hydroxy-1-(3-methylfuran-2-carbonyl)pyrrolidine-2-carboxylic acid (CID 61151938) is (2S)-4-hydroxy-1-(3-methylfuran-2-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-hydroxy-1-(3-methylfuran-2-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-hydroxy-1-(3-methylfuran-2-carbonyl)pyrrolidine-2-carboxylic acid is Cc1ccoc1C(=O)N1CC(O)C[C@H]1C(=O)O.
What is the InChIKey of (2S)-4-hydroxy-1-(3-methylfuran-2-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is OIHIYLPZJAWCJM-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H13NO5/c1-6-2-3-17-9(6)10(14)12-5-7(13)4-8(12)11(15)16/h2-3,7-8,13H,4-5H2,1H3,(H,15,16)/t7?,8-/m0/s1.
What are the key properties of (2S)-4-hydroxy-1-(3-methylfuran-2-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-4-hydroxy-1-(3-methylfuran-2-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-1-(3-methylfuran-2-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61151938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).