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

C11H18N2O5 — CID 64714436

IUPAC(2S,4S)-4-hydroxy-1-(4-methoxypyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCOC1CNC(C(=O)N2C[C@@H](O)C[C@H]2C(=O)O)C1
InChIInChI=1S/C11H18N2O5/c1-18-7-3-8(12-4-7)10(15)13-5-6(14)2-9(13)11(16)17/h6-9,12,14H,2-5H2,1H3,(H,16,17)/t6-,7?,8?,9-/m0/s1
InChIKeyHUGDFZFSFGCYSG-KRTGUUSXSA-N
MW258.27 g/mol
LogP-1.59
Rot. Bonds3

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

(2S,4S)-4-hydroxy-1-(4-methoxypyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 64714436) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is (2S,4S)-4-hydroxy-1-(4-methoxypyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-hydroxy-1-(4-methoxypyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID64714436
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name(2S,4S)-4-hydroxy-1-(4-methoxypyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCOC1CNC(C(=O)N2C[C@@H](O)C[C@H]2C(=O)O)C1
InChIInChI=1S/C11H18N2O5/c1-18-7-3-8(12-4-7)10(15)13-5-6(14)2-9(13)11(16)17/h6-9,12,14H,2-5H2,1H3,(H,16,17)/t6-,7?,8?,9-/m0/s1
InChIKeyHUGDFZFSFGCYSG-KRTGUUSXSA-N
XLogP-1.59
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxypyrrolidine-2-carboxylic acid;hydrochloride
CID 77213691
(2S,4R)-4-hydroxy-1-(piperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 63844034
(2S)-4-hydroxy-1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61161928
4-methoxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 61159406
(2,4-dimethylpiperazin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone
CID 113315084
4-hydroxy-1-(thiomorpholine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 82908311
1-(4-methoxypyrrolidine-2-carbonyl)piperidine-4-carboxylic acid
CID 61214955
1-(4-methoxypyrrolidine-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918579
1-[(2S,4S)-4-hydroxypyrrolidin-2-yl]ethanone;1-[(2R)-4-methoxypyrrolidin-2-yl]ethanone;1-[(2S)-4-methoxypyrrolidin-2-yl]ethanone
CID 91335246
(5-ethyl-2-methylmorpholin-4-yl)-(4-methoxypyrrolidin-2-yl)methanone
CID 61214758
(2,3-dimethylthiomorpholin-4-yl)-(4-methoxypyrrolidin-2-yl)methanone
CID 113315037
1-(4-methoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 116560655

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-hydroxy-1-(4-methoxypyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-hydroxy-1-(4-methoxypyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid (CID 64714436) is (2S,4S)-4-hydroxy-1-(4-methoxypyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-hydroxy-1-(4-methoxypyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-hydroxy-1-(4-methoxypyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid is COC1CNC(C(=O)N2C[C@@H](O)C[C@H]2C(=O)O)C1.
What is the InChIKey of (2S,4S)-4-hydroxy-1-(4-methoxypyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is HUGDFZFSFGCYSG-KRTGUUSXSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-18-7-3-8(12-4-7)10(15)13-5-6(14)2-9(13)11(16)17/h6-9,12,14H,2-5H2,1H3,(H,16,17)/t6-,7?,8?,9-/m0/s1.
What are the key properties of (2S,4S)-4-hydroxy-1-(4-methoxypyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid?
(2S,4S)-4-hydroxy-1-(4-methoxypyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 258.27 g/mol, XLogP of -1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-hydroxy-1-(4-methoxypyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 64714436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).