1-(4-amino-3-methoxybutanoyl)-2-methylpyrrolidine-3-carboxylic acid

C11H20N2O4 — CID 103156198

IUPAC1-(4-amino-3-methoxybutanoyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCOC(CN)CC(=O)N1CCC(C(=O)O)C1C
InChIInChI=1S/C11H20N2O4/c1-7-9(11(15)16)3-4-13(7)10(14)5-8(6-12)17-2/h7-9H,3-6,12H2,1-2H3,(H,15,16)
InChIKeySGNJDJJBFJVQMI-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.33
Rot. Bonds5

About 1-(4-amino-3-methoxybutanoyl)-2-methylpyrrolidine-3-carboxylic acid

1-(4-amino-3-methoxybutanoyl)-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 103156198) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-(4-amino-3-methoxybutanoyl)-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-amino-3-methoxybutanoyl)-2-methylpyrrolidine-3-carboxylic acid
PubChem CID103156198
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name1-(4-amino-3-methoxybutanoyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCOC(CN)CC(=O)N1CCC(C(=O)O)C1C
InChIInChI=1S/C11H20N2O4/c1-7-9(11(15)16)3-4-13(7)10(14)5-8(6-12)17-2/h7-9H,3-6,12H2,1-2H3,(H,15,16)
InChIKeySGNJDJJBFJVQMI-UHFFFAOYSA-N
XLogP-0.33
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(3-methylpentanoyl)pyrrolidine-3-carboxylic acid
CID 114873795
(2S,4S)-1-(4-amino-3-methoxybutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 103156006
3-(4-amino-3-methoxybutanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 103155360
(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
CID 137367540
(2S,3S)-2-methyl-1-(3-methylbutanoyl)piperidine-3-carboxylic acid
CID 122114574
2-methyl-1-[3-(methylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 79372570
1-(2-amino-3-methoxypropanoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 81102347
4-amino-1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxybutan-1-one;hydrochloride
CID 120589943
1-decanoyl-2-methylpyrrolidine-3-carboxylic acid
CID 79363466
4-amino-3-methoxy-1-(4-methylazepan-1-yl)butan-1-one
CID 103155888
4-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxybutan-1-one
CID 103155667
4-amino-3-methoxy-1-[2-(2-phenylethyl)pyrrolidin-1-yl]butan-1-one
CID 120588727

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methoxybutanoyl)-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-amino-3-methoxybutanoyl)-2-methylpyrrolidine-3-carboxylic acid (CID 103156198) is 1-(4-amino-3-methoxybutanoyl)-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-amino-3-methoxybutanoyl)-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-amino-3-methoxybutanoyl)-2-methylpyrrolidine-3-carboxylic acid is COC(CN)CC(=O)N1CCC(C(=O)O)C1C.
What is the InChIKey of 1-(4-amino-3-methoxybutanoyl)-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is SGNJDJJBFJVQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7-9(11(15)16)3-4-13(7)10(14)5-8(6-12)17-2/h7-9H,3-6,12H2,1-2H3,(H,15,16).
What are the key properties of 1-(4-amino-3-methoxybutanoyl)-2-methylpyrrolidine-3-carboxylic acid?
1-(4-amino-3-methoxybutanoyl)-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of -0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methoxybutanoyl)-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 103156198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).