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

C14H25N3O3 — CID 75411524

IUPAC(2S)-N-ethyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1CCCN1C1(C(=O)NC)CCOCC1
InChIInChI=1S/C14H25N3O3/c1-3-16-12(18)11-5-4-8-17(11)14(13(19)15-2)6-9-20-10-7-14/h11H,3-10H2,1-2H3,(H,15,19)(H,16,18)/t11-/m0/s1
InChIKeyJLQWLWSLGSYUNN-NSHDSACASA-N
MW283.37 g/mol
LogP-0.12
Rot. Bonds4

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

(2S)-N-ethyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide (PubChem CID 75411524) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2S)-N-ethyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-ethyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide
PubChem CID75411524
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name(2S)-N-ethyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1CCCN1C1(C(=O)NC)CCOCC1
InChIInChI=1S/C14H25N3O3/c1-3-16-12(18)11-5-4-8-17(11)14(13(19)15-2)6-9-20-10-7-14/h11H,3-10H2,1-2H3,(H,15,19)(H,16,18)/t11-/m0/s1
InChIKeyJLQWLWSLGSYUNN-NSHDSACASA-N
XLogP-0.12
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-ethyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide (CID 75411524) is (2S)-N-ethyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-ethyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-ethyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide is CCNC(=O)[C@@H]1CCCN1C1(C(=O)NC)CCOCC1.
What is the InChIKey of (2S)-N-ethyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is JLQWLWSLGSYUNN-NSHDSACASA-N. The full InChI is InChI=1S/C14H25N3O3/c1-3-16-12(18)11-5-4-8-17(11)14(13(19)15-2)6-9-20-10-7-14/h11H,3-10H2,1-2H3,(H,15,19)(H,16,18)/t11-/m0/s1.
What are the key properties of (2S)-N-ethyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide?
(2S)-N-ethyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 283.37 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 75411524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).