N-ethyl-4-[(2R)-pyrrolidine-2-carbonyl]morpholine-3-carboxamide

C12H21N3O3 — CID 104901407

IUPACN-ethyl-4-[(2R)-pyrrolidine-2-carbonyl]morpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1C(=O)[C@H]1CCCN1
InChIInChI=1S/C12H21N3O3/c1-2-13-11(16)10-8-18-7-6-15(10)12(17)9-4-3-5-14-9/h9-10,14H,2-8H2,1H3,(H,13,16)/t9-,10?/m1/s1
InChIKeyCQFOOHFQQUYOPB-YHMJZVADSA-N
MW255.32 g/mol
LogP-0.90
Rot. Bonds3

About N-ethyl-4-[(2R)-pyrrolidine-2-carbonyl]morpholine-3-carboxamide

N-ethyl-4-[(2R)-pyrrolidine-2-carbonyl]morpholine-3-carboxamide (PubChem CID 104901407) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-ethyl-4-[(2R)-pyrrolidine-2-carbonyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[(2R)-pyrrolidine-2-carbonyl]morpholine-3-carboxamide
PubChem CID104901407
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC NameN-ethyl-4-[(2R)-pyrrolidine-2-carbonyl]morpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1C(=O)[C@H]1CCCN1
InChIInChI=1S/C12H21N3O3/c1-2-13-11(16)10-8-18-7-6-15(10)12(17)9-4-3-5-14-9/h9-10,14H,2-8H2,1H3,(H,13,16)/t9-,10?/m1/s1
InChIKeyCQFOOHFQQUYOPB-YHMJZVADSA-N
XLogP-0.90
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-(4-methylpiperidine-2-carbonyl)morpholine-3-carboxamide
CID 114424430
4-(piperidine-2-carbonyl)morpholine-3-carboxamide
CID 83101241
(3-methylmorpholin-4-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 61156609
3-N-ethylmorpholine-3,4-dicarboxamide
CID 83106248
3-N-ethyl-4-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 116657396
4-N-cyclopentyl-3-N-ethylmorpholine-3,4-dicarboxamide
CID 116657394
methyl 3-(ethylcarbamoyl)morpholine-4-carboxylate
CID 116657408
4-[2-(cyclopropylamino)acetyl]-N-ethylmorpholine-3-carboxamide
CID 83099136
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
CID 83103608
4-[3-(tert-butylamino)propanoyl]-N-ethylmorpholine-3-carboxamide
CID 83097999
N-ethyl-4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-3-carboxamide
CID 112605644
1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 83104275

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(2R)-pyrrolidine-2-carbonyl]morpholine-3-carboxamide?
The IUPAC name of N-ethyl-4-[(2R)-pyrrolidine-2-carbonyl]morpholine-3-carboxamide (CID 104901407) is N-ethyl-4-[(2R)-pyrrolidine-2-carbonyl]morpholine-3-carboxamide.
What is the SMILES notation for N-ethyl-4-[(2R)-pyrrolidine-2-carbonyl]morpholine-3-carboxamide?
The canonical SMILES for N-ethyl-4-[(2R)-pyrrolidine-2-carbonyl]morpholine-3-carboxamide is CCNC(=O)C1COCCN1C(=O)[C@H]1CCCN1.
What is the InChIKey of N-ethyl-4-[(2R)-pyrrolidine-2-carbonyl]morpholine-3-carboxamide?
The InChIKey is CQFOOHFQQUYOPB-YHMJZVADSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-2-13-11(16)10-8-18-7-6-15(10)12(17)9-4-3-5-14-9/h9-10,14H,2-8H2,1H3,(H,13,16)/t9-,10?/m1/s1.
What are the key properties of N-ethyl-4-[(2R)-pyrrolidine-2-carbonyl]morpholine-3-carboxamide?
N-ethyl-4-[(2R)-pyrrolidine-2-carbonyl]morpholine-3-carboxamide has a molecular weight of 255.32 g/mol, XLogP of -0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(2R)-pyrrolidine-2-carbonyl]morpholine-3-carboxamide is sourced from PubChem (CID 104901407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).