(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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Related Compounds

(2S)-N-benzyl-1-[3-(methylcarbamoyl)oxetan-3-yl]pyrrolidine-2-carboxamide
CID 75529701
1-[2-(4-acetylpiperazine-1-carbonyl)pyrrolidin-1-yl]-N-methylcyclohexane-1-carboxamide
CID 162798577
(2S)-N,1-diethylpyrrolidine-2-carboxamide;hydrochloride
CID 66936572
(2S)-N-ethyl-1-nitrosopyrrolidine-2-carboxamide
CID 175675318
CID 170597623
CID 170597623
(2S)-N-ethyl-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide
CID 171786443
(2S)-N-ethyl-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxamide
CID 14282316
N-[4-(hydroxymethyl)oxan-4-yl]-1-methylpyrrolidine-2-carboxamide
CID 136531054
N-ethyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170386383
4-[[(1-butylsulfonylpyrrolidine-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120542866
1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid
CID 83103065
4-(2-methylpiperidin-1-yl)oxane-4-carboxylic acid
CID 82235017

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).