(2S)-N-(2-methoxyethyl)-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide

C15H27N3O4 — CID 75411531

IUPAC(2S)-N-(2-methoxyethyl)-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C1(N2CCC[C@H]2C(=O)NCCOC)CCOCC1
InChIInChI=1S/C15H27N3O4/c1-16-14(20)15(5-9-22-10-6-15)18-8-3-4-12(18)13(19)17-7-11-21-2/h12H,3-11H2,1-2H3,(H,16,20)(H,17,19)/t12-/m0/s1
InChIKeyFGHJOYFOSUFNMF-LBPRGKRZSA-N
MW313.40 g/mol
LogP-0.49
Rot. Bonds6

About (2S)-N-(2-methoxyethyl)-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide

(2S)-N-(2-methoxyethyl)-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide (PubChem CID 75411531) has the molecular formula C15H27N3O4 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2S)-N-(2-methoxyethyl)-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxyethyl)-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide
PubChem CID75411531
Molecular FormulaC15H27N3O4
Molecular Weight313.40 g/mol
Exact Mass313.20
IUPAC Name(2S)-N-(2-methoxyethyl)-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C1(N2CCC[C@H]2C(=O)NCCOC)CCOCC1
InChIInChI=1S/C15H27N3O4/c1-16-14(20)15(5-9-22-10-6-15)18-8-3-4-12(18)13(19)17-7-11-21-2/h12H,3-11H2,1-2H3,(H,16,20)(H,17,19)/t12-/m0/s1
InChIKeyFGHJOYFOSUFNMF-LBPRGKRZSA-N
XLogP-0.49
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxyethyl)-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-methoxyethyl)-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide (CID 75411531) is (2S)-N-(2-methoxyethyl)-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-methoxyethyl)-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-methoxyethyl)-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide is CNC(=O)C1(N2CCC[C@H]2C(=O)NCCOC)CCOCC1.
What is the InChIKey of (2S)-N-(2-methoxyethyl)-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is FGHJOYFOSUFNMF-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H27N3O4/c1-16-14(20)15(5-9-22-10-6-15)18-8-3-4-12(18)13(19)17-7-11-21-2/h12H,3-11H2,1-2H3,(H,16,20)(H,17,19)/t12-/m0/s1.
What are the key properties of (2S)-N-(2-methoxyethyl)-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide?
(2S)-N-(2-methoxyethyl)-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 313.40 g/mol, XLogP of -0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxyethyl)-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 75411531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).