(2S,4S)-4-hydroxy-1-(5-methyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid

C11H17NO5 — CID 81325341

IUPAC(2S,4S)-4-hydroxy-1-(5-methyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCC(C(=O)N2C[C@@H](O)C[C@H]2C(=O)O)O1
InChIInChI=1S/C11H17NO5/c1-6-2-3-9(17-6)10(14)12-5-7(13)4-8(12)11(15)16/h6-9,13H,2-5H2,1H3,(H,15,16)/t6?,7-,8-,9?/m0/s1
InChIKeyYJICLFNFXBCJSR-QXNPHUFVSA-N
MW243.26 g/mol
LogP-0.40
Rot. Bonds2

About (2S,4S)-4-hydroxy-1-(5-methyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid

(2S,4S)-4-hydroxy-1-(5-methyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 81325341) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is (2S,4S)-4-hydroxy-1-(5-methyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-hydroxy-1-(5-methyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID81325341
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name(2S,4S)-4-hydroxy-1-(5-methyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCC(C(=O)N2C[C@@H](O)C[C@H]2C(=O)O)O1
InChIInChI=1S/C11H17NO5/c1-6-2-3-9(17-6)10(14)12-5-7(13)4-8(12)11(15)16/h6-9,13H,2-5H2,1H3,(H,15,16)/t6?,7-,8-,9?/m0/s1
InChIKeyYJICLFNFXBCJSR-QXNPHUFVSA-N
XLogP-0.40
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4R)-4-hydroxy-1-(2-methylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 107175592
4-(5-methyloxolane-2-carbonyl)thiomorpholine-3-carboxylic acid
CID 82900549
1-(cyclobutanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 16775594
(2S,4S)-1-(cyclobutanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30046185
(2S,4R)-1-(cycloheptanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 55262089
(2S)-4-hydroxy-1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 66371673
(2S,4R)-4-hydroxy-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 63843186
(2S,4S)-1-[(2,6-dimethylpiperidin-1-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 83019671
(2S,4R)-1-(2,5-dimethylmorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63842866
(2R,4S)-1-carbamoyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 2374396
(2S,4R)-1-(dimethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841662
(2S)-4-hydroxy-1-(1-methylsulfonylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 61151967

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-hydroxy-1-(5-methyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-hydroxy-1-(5-methyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid (CID 81325341) is (2S,4S)-4-hydroxy-1-(5-methyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-hydroxy-1-(5-methyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-hydroxy-1-(5-methyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid is CC1CCC(C(=O)N2C[C@@H](O)C[C@H]2C(=O)O)O1.
What is the InChIKey of (2S,4S)-4-hydroxy-1-(5-methyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is YJICLFNFXBCJSR-QXNPHUFVSA-N. The full InChI is InChI=1S/C11H17NO5/c1-6-2-3-9(17-6)10(14)12-5-7(13)4-8(12)11(15)16/h6-9,13H,2-5H2,1H3,(H,15,16)/t6?,7-,8-,9?/m0/s1.
What are the key properties of (2S,4S)-4-hydroxy-1-(5-methyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid?
(2S,4S)-4-hydroxy-1-(5-methyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-hydroxy-1-(5-methyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 81325341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).