(4aS,7aR)-N-(2-morpholin-4-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide

C14H25N3O3 — CID 94555627

IUPAC(4aS,7aR)-N-(2-morpholin-4-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide
SMILESO=C(NCCN1CCOCC1)N1CCO[C@@H]2CCC[C@@H]21
InChIInChI=1S/C14H25N3O3/c18-14(15-4-5-16-6-9-19-10-7-16)17-8-11-20-13-3-1-2-12(13)17/h12-13H,1-11H2,(H,15,18)/t12-,13+/m0/s1
InChIKeyINJIKXMLVUJCTP-QWHCGFSZSA-N
MW283.37 g/mol
LogP0.28
Rot. Bonds3

About (4aS,7aR)-N-(2-morpholin-4-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide

(4aS,7aR)-N-(2-morpholin-4-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide (PubChem CID 94555627) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is (4aS,7aR)-N-(2-morpholin-4-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide.

Molecular Properties

Compound Name(4aS,7aR)-N-(2-morpholin-4-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide
PubChem CID94555627
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name(4aS,7aR)-N-(2-morpholin-4-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide
SMILESO=C(NCCN1CCOCC1)N1CCO[C@@H]2CCC[C@@H]21
InChIInChI=1S/C14H25N3O3/c18-14(15-4-5-16-6-9-19-10-7-16)17-8-11-20-13-3-1-2-12(13)17/h12-13H,1-11H2,(H,15,18)/t12-,13+/m0/s1
InChIKeyINJIKXMLVUJCTP-QWHCGFSZSA-N
XLogP0.28
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4aS,7aR)-N-(2-morpholin-4-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(2-morpholin-4-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide
CID 71887228
(2S)-4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonylamino)-2-hydroxybutanoic acid
CID 107839348
(4aR,7aS)-N-(3-imidazol-1-ylpropyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide
CID 94555636
3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonylamino)-2-hydroxypropanoic acid
CID 66165308
(1S,2S,5S,6S)-N-(2-morpholin-4-ylethyl)-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide
CID 124866301
(4aR,8aS)-N-(2-morpholin-4-ylethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbothioamide
CID 94743834
(4aS,8aR)-N-(2-morpholin-4-ylethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbothioamide
CID 94743828
1-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-chloroethanone
CID 51889854
N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 110689653
4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonylamino)-3-hydroxy-3-methylbutanoic acid
CID 66002624
(2R,4R)-4-hydroxy-1-(2-morpholin-4-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 78999377
(3R)-1-(2-morpholin-4-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81120691

Frequently Asked Questions

What is the IUPAC name of (4aS,7aR)-N-(2-morpholin-4-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide?
The IUPAC name of (4aS,7aR)-N-(2-morpholin-4-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide (CID 94555627) is (4aS,7aR)-N-(2-morpholin-4-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide.
What is the SMILES notation for (4aS,7aR)-N-(2-morpholin-4-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide?
The canonical SMILES for (4aS,7aR)-N-(2-morpholin-4-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide is O=C(NCCN1CCOCC1)N1CCO[C@@H]2CCC[C@@H]21.
What is the InChIKey of (4aS,7aR)-N-(2-morpholin-4-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide?
The InChIKey is INJIKXMLVUJCTP-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H25N3O3/c18-14(15-4-5-16-6-9-19-10-7-16)17-8-11-20-13-3-1-2-12(13)17/h12-13H,1-11H2,(H,15,18)/t12-,13+/m0/s1.
What are the key properties of (4aS,7aR)-N-(2-morpholin-4-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide?
(4aS,7aR)-N-(2-morpholin-4-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,7aR)-N-(2-morpholin-4-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide is sourced from PubChem (CID 94555627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).