1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid

C8H14N2O3 — CID 82512183

IUPAC1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCNCCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C8H14N2O3/c1-9-2-3-10-5-6(8(12)13)4-7(10)11/h6,9H,2-5H2,1H3,(H,12,13)
InChIKeyVAFPKGSFPMTNEM-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.86
Rot. Bonds4

About 1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid

1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 82512183) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID82512183
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCNCCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C8H14N2O3/c1-9-2-3-10-5-6(8(12)13)4-7(10)11/h6,9H,2-5H2,1H3,(H,12,13)
InChIKeyVAFPKGSFPMTNEM-UHFFFAOYSA-N
XLogP-0.86
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-acetamidoethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 43552674
(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 7583712
1-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690171
1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 71757801
1-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 83193064
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
1-(3-hydroxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid
CID 83192927
1-[2-(benzylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691354
(3R)-1-(3-aminopropyl)-5-oxopyrrolidine-3-carboxylic acid
CID 92755218

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid (CID 82512183) is 1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid is CNCCN1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is VAFPKGSFPMTNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-9-2-3-10-5-6(8(12)13)4-7(10)11/h6,9H,2-5H2,1H3,(H,12,13).
What are the key properties of 1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 186.21 g/mol, XLogP of -0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 82512183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).