(2S,4S)-4-hydroxy-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid

C10H14N2O5 — CID 83192599

IUPAC(2S,4S)-4-hydroxy-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C1CC(C(=O)N2C[C@@H](O)C[C@H]2C(=O)O)CN1
InChIInChI=1S/C10H14N2O5/c13-6-2-7(10(16)17)12(4-6)9(15)5-1-8(14)11-3-5/h5-7,13H,1-4H2,(H,11,14)(H,16,17)/t5?,6-,7-/m0/s1
InChIKeyBTYANYDMYMKYQQ-BYRXKDITSA-N
MW242.23 g/mol
LogP-1.83
Rot. Bonds2

About (2S,4S)-4-hydroxy-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid

(2S,4S)-4-hydroxy-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 83192599) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is (2S,4S)-4-hydroxy-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-hydroxy-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID83192599
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name(2S,4S)-4-hydroxy-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C1CC(C(=O)N2C[C@@H](O)C[C@H]2C(=O)O)CN1
InChIInChI=1S/C10H14N2O5/c13-6-2-7(10(16)17)12(4-6)9(15)5-1-8(14)11-3-5/h5-7,13H,1-4H2,(H,11,14)(H,16,17)/t5?,6-,7-/m0/s1
InChIKeyBTYANYDMYMKYQQ-BYRXKDITSA-N
XLogP-1.83
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-1.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-4-hydroxy-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 83192354
(2S,4R)-4-hydroxy-1-(1-methyl-5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 63844018
(2S,4S)-1-(cyclobutanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30046185
1-(cyclobutanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 16775594
(2S,4R)-4-hydroxy-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 63843186
1-(2,3-dihydro-1H-indene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 106892310
(2S,4R)-1-(cycloheptanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 55262089
(2S,4S)-4-hydroxy-1-[(3R)-piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 81134398
(2R,4R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79001063
(2S,4R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841632
(2S)-4-hydroxy-1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 61152370
(2R,4R)-1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000761

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-hydroxy-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-hydroxy-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 83192599) is (2S,4S)-4-hydroxy-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-hydroxy-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-hydroxy-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid is O=C1CC(C(=O)N2C[C@@H](O)C[C@H]2C(=O)O)CN1.
What is the InChIKey of (2S,4S)-4-hydroxy-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is BTYANYDMYMKYQQ-BYRXKDITSA-N. The full InChI is InChI=1S/C10H14N2O5/c13-6-2-7(10(16)17)12(4-6)9(15)5-1-8(14)11-3-5/h5-7,13H,1-4H2,(H,11,14)(H,16,17)/t5?,6-,7-/m0/s1.
What are the key properties of (2S,4S)-4-hydroxy-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid?
(2S,4S)-4-hydroxy-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 242.23 g/mol, XLogP of -1.83, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-hydroxy-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83192599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).