4-hydroxy-1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid

C10H18N2O5 — CID 61428576

IUPAC4-hydroxy-1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCOCCN(C)C(=O)N1CC(O)CC1C(=O)O
InChIInChI=1S/C10H18N2O5/c1-11(3-4-17-2)10(16)12-6-7(13)5-8(12)9(14)15/h7-8,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyYVQXFEIRXFPQTO-UHFFFAOYSA-N
MW246.26 g/mol
LogP-0.80
Rot. Bonds4

About 4-hydroxy-1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid

4-hydroxy-1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 61428576) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is 4-hydroxy-1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID61428576
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name4-hydroxy-1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCOCCN(C)C(=O)N1CC(O)CC1C(=O)O
InChIInChI=1S/C10H18N2O5/c1-11(3-4-17-2)10(16)12-6-7(13)5-8(12)9(14)15/h7-8,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyYVQXFEIRXFPQTO-UHFFFAOYSA-N
XLogP-0.80
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-4-hydroxy-1-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 64712728
(2S)-1-[butyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61184805
(2R,4R)-1-[butyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999862
(2S,4S)-4-hydroxy-1-[methyl(2-methylsulfonylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 79865146
(2S,4S)-4-hydroxy-1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 64713208
(2S,4R)-1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841664
(2S,4R)-1-(dimethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841662
(2S)-1-[2,2-difluoroethyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 104871074
(2S)-1-[cyclopentylmethyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63657175
4-hydroxy-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 65487736
(2S,4R)-1-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 55260171
(2R,4R)-1-[2-cyanopropyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999987

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 61428576) is 4-hydroxy-1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid is COCCN(C)C(=O)N1CC(O)CC1C(=O)O.
What is the InChIKey of 4-hydroxy-1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is YVQXFEIRXFPQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-11(3-4-17-2)10(16)12-6-7(13)5-8(12)9(14)15/h7-8,13H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 4-hydroxy-1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid?
4-hydroxy-1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 246.26 g/mol, XLogP of -0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61428576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).