3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1-aminocyclopentane-1-carboxamide

C14H25N3O2 — CID 79655518

IUPAC3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1-aminocyclopentane-1-carboxamide
SMILESNC(=O)C1(N)CCC(N2CCOC3CCCCC32)C1
InChIInChI=1S/C14H25N3O2/c15-13(18)14(16)6-5-10(9-14)17-7-8-19-12-4-2-1-3-11(12)17/h10-12H,1-9,16H2,(H2,15,18)
InChIKeyGFGZOBPDVKWIIU-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.37
Rot. Bonds2

About 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1-aminocyclopentane-1-carboxamide

3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1-aminocyclopentane-1-carboxamide (PubChem CID 79655518) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1-aminocyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1-aminocyclopentane-1-carboxamide
PubChem CID79655518
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1-aminocyclopentane-1-carboxamide
SMILESNC(=O)C1(N)CCC(N2CCOC3CCCCC32)C1
InChIInChI=1S/C14H25N3O2/c15-13(18)14(16)6-5-10(9-14)17-7-8-19-12-4-2-1-3-11(12)17/h10-12H,1-9,16H2,(H2,15,18)
InChIKeyGFGZOBPDVKWIIU-UHFFFAOYSA-N
XLogP0.37
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1-aminocyclopentane-1-carboxylate
CID 79647422
[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-aminocyclohexyl]methanol
CID 79640625
3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79647421
1-amino-3-(4-piperidin-1-ylpiperidin-1-yl)cyclopentane-1-carboxamide
CID 79646142
1-amino-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]cyclopentane-1-carboxamide
CID 79650768
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclopentan-1-one
CID 79644213
1-amino-3-(4-methylpiperazin-1-yl)cyclopentane-1-carboxamide
CID 79650015
1-amino-3-(2-azaspiro[4.5]decan-2-yl)cyclopentane-1-carboxamide
CID 114279513
[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(ethylamino)cyclohexyl]methanol
CID 79640787
[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635678
1-amino-3-(3-piperidin-1-ylpyrrolidin-1-yl)cyclopentane-1-carboxamide
CID 79651841
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclobutane-1-carboxylic acid
CID 80997581

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1-aminocyclopentane-1-carboxamide?
The IUPAC name of 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1-aminocyclopentane-1-carboxamide (CID 79655518) is 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1-aminocyclopentane-1-carboxamide.
What is the SMILES notation for 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1-aminocyclopentane-1-carboxamide?
The canonical SMILES for 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1-aminocyclopentane-1-carboxamide is NC(=O)C1(N)CCC(N2CCOC3CCCCC32)C1.
What is the InChIKey of 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1-aminocyclopentane-1-carboxamide?
The InChIKey is GFGZOBPDVKWIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c15-13(18)14(16)6-5-10(9-14)17-7-8-19-12-4-2-1-3-11(12)17/h10-12H,1-9,16H2,(H2,15,18).
What are the key properties of 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1-aminocyclopentane-1-carboxamide?
3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1-aminocyclopentane-1-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1-aminocyclopentane-1-carboxamide is sourced from PubChem (CID 79655518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).