[(2S)-2-carbamoylpentyl] 5-oxopyrrolidine-3-carboxylate

C11H18N2O4 — CID 150610766

IUPAC[(2S)-2-carbamoylpentyl] 5-oxopyrrolidine-3-carboxylate
SMILESCCC[C@@H](COC(=O)C1CNC(=O)C1)C(N)=O
InChIInChI=1S/C11H18N2O4/c1-2-3-7(10(12)15)6-17-11(16)8-4-9(14)13-5-8/h7-8H,2-6H2,1H3,(H2,12,15)(H,13,14)/t7-,8?/m0/s1
InChIKeyITVNGPKZNHBDPO-JAMMHHFISA-N
MW242.27 g/mol
LogP-0.43
Rot. Bonds6

About [(2S)-2-carbamoylpentyl] 5-oxopyrrolidine-3-carboxylate

[(2S)-2-carbamoylpentyl] 5-oxopyrrolidine-3-carboxylate (PubChem CID 150610766) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is [(2S)-2-carbamoylpentyl] 5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[(2S)-2-carbamoylpentyl] 5-oxopyrrolidine-3-carboxylate
PubChem CID150610766
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name[(2S)-2-carbamoylpentyl] 5-oxopyrrolidine-3-carboxylate
SMILESCCC[C@@H](COC(=O)C1CNC(=O)C1)C(N)=O
InChIInChI=1S/C11H18N2O4/c1-2-3-7(10(12)15)6-17-11(16)8-4-9(14)13-5-8/h7-8H,2-6H2,1H3,(H2,12,15)(H,13,14)/t7-,8?/m0/s1
InChIKeyITVNGPKZNHBDPO-JAMMHHFISA-N
XLogP-0.43
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-carbamoylpentyl] 5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [(2S)-2-carbamoylpentyl] 5-oxopyrrolidine-3-carboxylate (CID 150610766) is [(2S)-2-carbamoylpentyl] 5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [(2S)-2-carbamoylpentyl] 5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [(2S)-2-carbamoylpentyl] 5-oxopyrrolidine-3-carboxylate is CCC[C@@H](COC(=O)C1CNC(=O)C1)C(N)=O.
What is the InChIKey of [(2S)-2-carbamoylpentyl] 5-oxopyrrolidine-3-carboxylate?
The InChIKey is ITVNGPKZNHBDPO-JAMMHHFISA-N. The full InChI is InChI=1S/C11H18N2O4/c1-2-3-7(10(12)15)6-17-11(16)8-4-9(14)13-5-8/h7-8H,2-6H2,1H3,(H2,12,15)(H,13,14)/t7-,8?/m0/s1.
What are the key properties of [(2S)-2-carbamoylpentyl] 5-oxopyrrolidine-3-carboxylate?
[(2S)-2-carbamoylpentyl] 5-oxopyrrolidine-3-carboxylate has a molecular weight of 242.27 g/mol, XLogP of -0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-carbamoylpentyl] 5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 150610766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).