1-(2-acetamidoethyl)-5-oxopyrrolidine-3-carboxylic acid

C9H14N2O4 — CID 43552674

IUPAC1-(2-acetamidoethyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCC(=O)NCCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C9H14N2O4/c1-6(12)10-2-3-11-5-7(9(14)15)4-8(11)13/h7H,2-5H2,1H3,(H,10,12)(H,14,15)
InChIKeyXFCOTLPSWMLMMV-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.94
Rot. Bonds4

About 1-(2-acetamidoethyl)-5-oxopyrrolidine-3-carboxylic acid

1-(2-acetamidoethyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 43552674) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 1-(2-acetamidoethyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-acetamidoethyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID43552674
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name1-(2-acetamidoethyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCC(=O)NCCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C9H14N2O4/c1-6(12)10-2-3-11-5-7(9(14)15)4-8(11)13/h7H,2-5H2,1H3,(H,10,12)(H,14,15)
InChIKeyXFCOTLPSWMLMMV-UHFFFAOYSA-N
XLogP-0.94
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 82512183
N-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]ethyl]acetamide
CID 168662030
(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 7583712
1-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690171
(3R)-5-oxo-1-[2-(pyridine-4-carbonylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 95121214
1-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 83193064
1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 71757801
1-[3-(methanesulfonamido)propyl]-5-oxopyrrolidine-3-carboxylic acid
CID 106332650
(3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid
CID 7144531
1-decyl-5-oxopyrrolidine-3-carboxylic acid
CID 3023563
1-(2-methylsulfanylethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 63983679
N-[3-(4-chloro-2-oxopyrrolidin-1-yl)propyl]acetamide
CID 168687350

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetamidoethyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-acetamidoethyl)-5-oxopyrrolidine-3-carboxylic acid (CID 43552674) is 1-(2-acetamidoethyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-acetamidoethyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-acetamidoethyl)-5-oxopyrrolidine-3-carboxylic acid is CC(=O)NCCN1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-(2-acetamidoethyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is XFCOTLPSWMLMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-6(12)10-2-3-11-5-7(9(14)15)4-8(11)13/h7H,2-5H2,1H3,(H,10,12)(H,14,15).
What are the key properties of 1-(2-acetamidoethyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(2-acetamidoethyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 214.22 g/mol, XLogP of -0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetamidoethyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 43552674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).