1-[3-(cyclopropylamino)-3-oxopropyl]-5-oxopyrrolidine-2-carboxylic acid

C11H16N2O4 — CID 62874003

IUPAC1-[3-(cyclopropylamino)-3-oxopropyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C(CCN1C(=O)CCC1C(=O)O)NC1CC1
InChIInChI=1S/C11H16N2O4/c14-9(12-7-1-2-7)5-6-13-8(11(16)17)3-4-10(13)15/h7-8H,1-6H2,(H,12,14)(H,16,17)
InChIKeyYLLBGFDZXIXECW-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.27
Rot. Bonds5

About 1-[3-(cyclopropylamino)-3-oxopropyl]-5-oxopyrrolidine-2-carboxylic acid

1-[3-(cyclopropylamino)-3-oxopropyl]-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 62874003) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-[3-(cyclopropylamino)-3-oxopropyl]-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(cyclopropylamino)-3-oxopropyl]-5-oxopyrrolidine-2-carboxylic acid
PubChem CID62874003
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name1-[3-(cyclopropylamino)-3-oxopropyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C(CCN1C(=O)CCC1C(=O)O)NC1CC1
InChIInChI=1S/C11H16N2O4/c14-9(12-7-1-2-7)5-6-13-8(11(16)17)3-4-10(13)15/h7-8H,1-6H2,(H,12,14)(H,16,17)
InChIKeyYLLBGFDZXIXECW-UHFFFAOYSA-N
XLogP-0.27
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 60667695
1-heptyl-5-oxopyrrolidine-2-carboxylic acid
CID 19002593
5-oxo-1-(3,3,3-trifluoropropyl)pyrrolidine-2-carboxylic acid
CID 64566108
(2R)-1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 59309467
1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 19002576
5-oxo-1-(2-propylsulfonylethyl)pyrrolidine-2-carboxylic acid
CID 106726403
1-(3-cyanopropyl)-5-oxopyrrolidine-2-carboxylic acid
CID 62873820
5-oxo-1-pent-3-ynylpyrrolidine-2-carboxylic acid
CID 104808350
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-oxopyrrolidine-2-carboxylic acid
CID 112590083
N-cyclopropyl-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 112731299
N,N'-dicyclopropylbutanediamide
CID 5225156
1-(2-butylsulfanylethyl)-5-oxopyrrolidine-2-carboxylic acid
CID 19370197

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylamino)-3-oxopropyl]-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[3-(cyclopropylamino)-3-oxopropyl]-5-oxopyrrolidine-2-carboxylic acid (CID 62874003) is 1-[3-(cyclopropylamino)-3-oxopropyl]-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(cyclopropylamino)-3-oxopropyl]-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(cyclopropylamino)-3-oxopropyl]-5-oxopyrrolidine-2-carboxylic acid is O=C(CCN1C(=O)CCC1C(=O)O)NC1CC1.
What is the InChIKey of 1-[3-(cyclopropylamino)-3-oxopropyl]-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is YLLBGFDZXIXECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c14-9(12-7-1-2-7)5-6-13-8(11(16)17)3-4-10(13)15/h7-8H,1-6H2,(H,12,14)(H,16,17).
What are the key properties of 1-[3-(cyclopropylamino)-3-oxopropyl]-5-oxopyrrolidine-2-carboxylic acid?
1-[3-(cyclopropylamino)-3-oxopropyl]-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylamino)-3-oxopropyl]-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 62874003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).