1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid

C10H18N2O4 — CID 63030368

IUPAC1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCOCCN(C)C(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C10H18N2O4/c1-11(5-6-16-2)10(15)12-4-3-8(7-12)9(13)14/h8H,3-7H2,1-2H3,(H,13,14)
InChIKeyIVKWNHORPCUIPN-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.09
Rot. Bonds4

About 1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid

1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 63030368) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID63030368
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCOCCN(C)C(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C10H18N2O4/c1-11(5-6-16-2)10(15)12-4-3-8(7-12)9(13)14/h8H,3-7H2,1-2H3,(H,13,14)
InChIKeyIVKWNHORPCUIPN-UHFFFAOYSA-N
XLogP0.09
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-ethoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 81056899
1-[2-cyanoethyl(2-methoxyethyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 55171533
1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032262
1-(3-methoxypropanoyl)pyrrolidine-3-carboxylic acid
CID 63030606
(3R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120822
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 79315373
(3R)-1-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120354
(3S)-1-[2-methoxyethyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81118499
1-[benzyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030695
1-[2-cyanoethyl(2-methoxyethyl)carbamoyl]piperidine-3-carboxylic acid
CID 63286603
1-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031058
1-[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 79314977

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 63030368) is 1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid is COCCN(C)C(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is IVKWNHORPCUIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-11(5-6-16-2)10(15)12-4-3-8(7-12)9(13)14/h8H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid?
1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 230.26 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63030368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).