N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-oxopyrrolidine-2-carboxamide

C11H18N2O3 — CID 114751234

IUPACN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)NCC2(CCO)CC2)N1
InChIInChI=1S/C11H18N2O3/c14-6-5-11(3-4-11)7-12-10(16)8-1-2-9(15)13-8/h8,14H,1-7H2,(H,12,16)(H,13,15)
InChIKeyGBJLAZPZMYQLLG-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.46
Rot. Bonds5

About N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-oxopyrrolidine-2-carboxamide

N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 114751234) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID114751234
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC NameN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)NCC2(CCO)CC2)N1
InChIInChI=1S/C11H18N2O3/c14-6-5-11(3-4-11)7-12-10(16)8-1-2-9(15)13-8/h8,14H,1-7H2,(H,12,16)(H,13,15)
InChIKeyGBJLAZPZMYQLLG-UHFFFAOYSA-N
XLogP-0.46
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-oxopyrrolidine-2-carboxamide (CID 114751234) is N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-oxopyrrolidine-2-carboxamide is O=C1CCC(C(=O)NCC2(CCO)CC2)N1.
What is the InChIKey of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is GBJLAZPZMYQLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c14-6-5-11(3-4-11)7-12-10(16)8-1-2-9(15)13-8/h8,14H,1-7H2,(H,12,16)(H,13,15).
What are the key properties of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-oxopyrrolidine-2-carboxamide?
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 226.28 g/mol, XLogP of -0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 114751234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).