1-[(3-ethoxy-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid

C11H18N2O5 — CID 63031772

IUPAC1-[(3-ethoxy-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCOC(=O)CCNC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C11H18N2O5/c1-2-18-9(14)3-5-12-11(17)13-6-4-8(7-13)10(15)16/h8H,2-7H2,1H3,(H,12,17)(H,15,16)
InChIKeyPEMQMNGHXUUMQK-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.06
Rot. Bonds5

About 1-[(3-ethoxy-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid

1-[(3-ethoxy-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 63031772) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 1-[(3-ethoxy-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-ethoxy-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID63031772
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name1-[(3-ethoxy-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCOC(=O)CCNC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C11H18N2O5/c1-2-18-9(14)3-5-12-11(17)13-6-4-8(7-13)10(15)16/h8H,2-7H2,1H3,(H,12,17)(H,15,16)
InChIKeyPEMQMNGHXUUMQK-UHFFFAOYSA-N
XLogP0.06
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 ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-amino-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032084
1-[2-[(3-ethoxy-3-oxopropyl)amino]acetyl]piperidine-4-carboxylic acid
CID 103245400
1-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 79400729
1-(4-ethoxy-4-oxobutanoyl)piperidine-3-carboxylic acid
CID 43355863
1-(2-piperidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 55149905
ethyl 3-[[(2R)-2-(cyclohexylmethyl)morpholine-4-carbonyl]amino]propanoate
CID 26392962
1-(3-methylsulfanylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63958995
1-[(4-ethoxy-2-methyl-4-oxobutyl)carbamoyl]piperidine-4-carboxylic acid
CID 122008165
1-[2-[2-(dimethylamino)ethoxy]ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 114128644
1-[(4-ethoxy-4-oxobutyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744370
1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63227780
methyl 3-[[(3S)-3-aminopyrrolidine-1-carbonyl]amino]propanoate
CID 165430524

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxy-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(3-ethoxy-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 63031772) is 1-[(3-ethoxy-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-ethoxy-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-ethoxy-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid is CCOC(=O)CCNC(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-[(3-ethoxy-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is PEMQMNGHXUUMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-2-18-9(14)3-5-12-11(17)13-6-4-8(7-13)10(15)16/h8H,2-7H2,1H3,(H,12,17)(H,15,16).
What are the key properties of 1-[(3-ethoxy-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid?
1-[(3-ethoxy-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 258.27 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethoxy-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63031772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).