1-(3-acetamidopropanoyl)-4-methoxypyrrolidine-2-carboxylic acid

C11H18N2O5 — CID 43359652

IUPAC1-(3-acetamidopropanoyl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)CCNC(C)=O)C1
InChIInChI=1S/C11H18N2O5/c1-7(14)12-4-3-10(15)13-6-8(18-2)5-9(13)11(16)17/h8-9H,3-6H2,1-2H3,(H,12,14)(H,16,17)
InChIKeyFRWCZSPSCCQMDA-UHFFFAOYSA-N
MW258.27 g/mol
LogP-0.79
Rot. Bonds5

About 1-(3-acetamidopropanoyl)-4-methoxypyrrolidine-2-carboxylic acid

1-(3-acetamidopropanoyl)-4-methoxypyrrolidine-2-carboxylic acid (PubChem CID 43359652) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 1-(3-acetamidopropanoyl)-4-methoxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-acetamidopropanoyl)-4-methoxypyrrolidine-2-carboxylic acid
PubChem CID43359652
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name1-(3-acetamidopropanoyl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)CCNC(C)=O)C1
InChIInChI=1S/C11H18N2O5/c1-7(14)12-4-3-10(15)13-6-8(18-2)5-9(13)11(16)17/h8-9H,3-6H2,1-2H3,(H,12,14)(H,16,17)
InChIKeyFRWCZSPSCCQMDA-UHFFFAOYSA-N
XLogP-0.79
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-acetamidohexanoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43359689
4-methoxy-1-nonanoylpyrrolidine-2-carboxylic acid
CID 43359772
1-[2-[(2-aminoacetyl)amino]acetyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 61159252
(2S,4S)-1-(4-acetylsulfanylbutanoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 54469246
1-(3-cyclobutylpropanoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 120534374
1-[2-(carbamoylamino)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 83113219
4-methoxy-1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61192351
1-(3-acetamidopropanoyl)piperidine-2-carboxylic acid
CID 43355950
1-(cyclobutylmethylcarbamoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 61197043
1-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 120689332
1-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 55097642
1-[3-(methanesulfonamido)propylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 106340335

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetamidopropanoyl)-4-methoxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-acetamidopropanoyl)-4-methoxypyrrolidine-2-carboxylic acid (CID 43359652) is 1-(3-acetamidopropanoyl)-4-methoxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-acetamidopropanoyl)-4-methoxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-acetamidopropanoyl)-4-methoxypyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(C(=O)CCNC(C)=O)C1.
What is the InChIKey of 1-(3-acetamidopropanoyl)-4-methoxypyrrolidine-2-carboxylic acid?
The InChIKey is FRWCZSPSCCQMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-7(14)12-4-3-10(15)13-6-8(18-2)5-9(13)11(16)17/h8-9H,3-6H2,1-2H3,(H,12,14)(H,16,17).
What are the key properties of 1-(3-acetamidopropanoyl)-4-methoxypyrrolidine-2-carboxylic acid?
1-(3-acetamidopropanoyl)-4-methoxypyrrolidine-2-carboxylic acid has a molecular weight of 258.27 g/mol, XLogP of -0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetamidopropanoyl)-4-methoxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43359652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).