N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-amino-1-methylcyclopentane-1-carboxamide

C15H27N3O2 — CID 82767635

IUPACN-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-amino-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NCC2CN3CCCC3CO2)CCCC1N
InChIInChI=1S/C15H27N3O2/c1-15(6-2-5-13(15)16)14(19)17-8-12-9-18-7-3-4-11(18)10-20-12/h11-13H,2-10,16H2,1H3,(H,17,19)
InChIKeyUHLOGFCBAXCNIY-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.48
Rot. Bonds3

About N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-amino-1-methylcyclopentane-1-carboxamide

N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-amino-1-methylcyclopentane-1-carboxamide (PubChem CID 82767635) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-amino-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-amino-1-methylcyclopentane-1-carboxamide
PubChem CID82767635
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-amino-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NCC2CN3CCCC3CO2)CCCC1N
InChIInChI=1S/C15H27N3O2/c1-15(6-2-5-13(15)16)14(19)17-8-12-9-18-7-3-4-11(18)10-20-12/h11-13H,2-10,16H2,1H3,(H,17,19)
InChIKeyUHLOGFCBAXCNIY-UHFFFAOYSA-N
XLogP0.48
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-amino-1-methylcyclopentane-1-carboxamide with MolForge

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Related Compounds

N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-(aminomethyl)cyclohexane-1-carboxamide
CID 79080162
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-methylpiperidine-3-carboxamide
CID 79081943
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-cyano-3-methylcyclobutane-1-carboxamide
CID 80502154
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4-cyanooxane-4-carboxamide
CID 78953320
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-aminobutanamide
CID 79082754
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-tert-butylurea
CID 115693118
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4-amino-2-methylbutanamide
CID 80545100
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-aminocyclopentane-1-carboxamide
CID 79082865
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-(propan-2-ylamino)acetamide
CID 79082168
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-(methylamino)propanamide
CID 79083336
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-(aminomethyl)butanamide
CID 79083401
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81155836

Frequently Asked Questions

What is the IUPAC name of N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-amino-1-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-amino-1-methylcyclopentane-1-carboxamide (CID 82767635) is N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-amino-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-amino-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-amino-1-methylcyclopentane-1-carboxamide is CC1(C(=O)NCC2CN3CCCC3CO2)CCCC1N.
What is the InChIKey of N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-amino-1-methylcyclopentane-1-carboxamide?
The InChIKey is UHLOGFCBAXCNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-15(6-2-5-13(15)16)14(19)17-8-12-9-18-7-3-4-11(18)10-20-12/h11-13H,2-10,16H2,1H3,(H,17,19).
What are the key properties of N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-amino-1-methylcyclopentane-1-carboxamide?
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-amino-1-methylcyclopentane-1-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-amino-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 82767635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).