(2S,4R)-4-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid

C8H13NO5 — CID 154005523

IUPAC(2S,4R)-4-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid
SMILESCOC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)O
InChIInChI=1S/C8H13NO5/c1-13-5-3-6(7(10)14-2)9(4-5)8(11)12/h5-6H,3-4H2,1-2H3,(H,11,12)/t5-,6+/m1/s1
InChIKeyABBYKUNALXIARK-RITPCOANSA-N
MW203.19 g/mol
LogP-0.07
Rot. Bonds2

About (2S,4R)-4-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid

(2S,4R)-4-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid (PubChem CID 154005523) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is (2S,4R)-4-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid
PubChem CID154005523
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name(2S,4R)-4-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid
SMILESCOC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)O
InChIInChI=1S/C8H13NO5/c1-13-5-3-6(7(10)14-2)9(4-5)8(11)12/h5-6H,3-4H2,1-2H3,(H,11,12)/t5-,6+/m1/s1
InChIKeyABBYKUNALXIARK-RITPCOANSA-N
XLogP-0.07
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid
CID 21251523
2,4-bis(methoxycarbonyl)pyrrolidine-1-carboxylic acid
CID 154464394
1-O-tert-butyl 2-O-methyl (4S)-4-methoxypyrrolidine-1,2-dicarboxylate
CID 112547208
dimethyl (2S,5R)-5-methoxypiperidine-1,2-dicarboxylate
CID 139799351
(2R,4R)-2-formyl-4-methoxypyrrolidine-1-carboxylic acid
CID 134282102
methyl (2S,4S)-4-methoxy-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 99984117
2-hydroxy-5-methoxypiperidine-1-carboxylic acid
CID 151000753
(4R)-2-(1-hydroxyethyl)-4-methoxypyrrolidine-1-carboxylic acid
CID 166681264
methyl (2S,4R)-4-methoxy-1-[2-(3-methylphenyl)acetyl]pyrrolidine-2-carboxylate
CID 100704929
methyl 4-methoxy-1-(6-methylpyridine-2-carbonyl)pyrrolidine-2-carboxylate
CID 75420393
methyl (2R,4S)-1-[3-(2-bromophenyl)propanoyl]-4-methoxypyrrolidine-2-carboxylate
CID 100705279
(2R,4S)-4-methoxy-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
CID 93310397

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid?
The IUPAC name of (2S,4R)-4-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid (CID 154005523) is (2S,4R)-4-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S,4R)-4-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid is COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)O.
What is the InChIKey of (2S,4R)-4-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid?
The InChIKey is ABBYKUNALXIARK-RITPCOANSA-N. The full InChI is InChI=1S/C8H13NO5/c1-13-5-3-6(7(10)14-2)9(4-5)8(11)12/h5-6H,3-4H2,1-2H3,(H,11,12)/t5-,6+/m1/s1.
What are the key properties of (2S,4R)-4-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid?
(2S,4R)-4-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid has a molecular weight of 203.19 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 154005523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).