N-[(1S,3S)-3-methoxycyclopentyl]-1-azabicyclo[3.1.0]hexane-3-carboxamide

C12H20N2O2 — CID 141395652

IUPACN-[(1S,3S)-3-methoxycyclopentyl]-1-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCO[C@H]1CC[C@H](NC(=O)C2CC3CN3C2)C1
InChIInChI=1S/C12H20N2O2/c1-16-11-3-2-9(5-11)13-12(15)8-4-10-7-14(10)6-8/h8-11H,2-7H2,1H3,(H,13,15)/t8?,9-,10?,11-,14?/m0/s1
InChIKeyQCHQJXMEUCWLAA-LJBRSCCQSA-N
MW224.30 g/mol
LogP0.37
Rot. Bonds3

About N-[(1S,3S)-3-methoxycyclopentyl]-1-azabicyclo[3.1.0]hexane-3-carboxamide

N-[(1S,3S)-3-methoxycyclopentyl]-1-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 141395652) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-[(1S,3S)-3-methoxycyclopentyl]-1-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-methoxycyclopentyl]-1-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID141395652
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-[(1S,3S)-3-methoxycyclopentyl]-1-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCO[C@H]1CC[C@H](NC(=O)C2CC3CN3C2)C1
InChIInChI=1S/C12H20N2O2/c1-16-11-3-2-9(5-11)13-12(15)8-4-10-7-14(10)6-8/h8-11H,2-7H2,1H3,(H,13,15)/t8?,9-,10?,11-,14?/m0/s1
InChIKeyQCHQJXMEUCWLAA-LJBRSCCQSA-N
XLogP0.37
TPSA41.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-[(1R,3R)-3-methoxycyclopentyl]-1-azabicyclo[3.1.0]hexane-3-carboxamide
CID 141395659
N-[(1R,3S)-3-methylcyclohexyl]-1-azabicyclo[3.1.0]hexane-3-carboxamide
CID 141395665
[(1S,3S)-3-methoxycyclopentyl]carbamic acid
CID 135318660
1-methoxy-3-(3-methoxycyclopentyl)urea
CID 131201324
N-(3-methoxycyclopentyl)butanamide
CID 103082475
N-(3-methoxycyclopentyl)-3-methylpiperidine-1-carboxamide
CID 103082501
1-[(1R,3S)-3-methoxycyclopentyl]-3-(4-propan-2-yloxycyclohexyl)urea
CID 99830189
1-[(1R,3S)-3-methoxycyclopentyl]-3-[(3R)-4-methylpent-1-yn-3-yl]urea
CID 100690924
1-[(1S,3R)-3-methoxycyclopentyl]-3-[(3R)-4-methylpent-1-yn-3-yl]urea
CID 129434643
N-(3-methoxycyclopentyl)-2-(2-methoxyethoxy)acetamide
CID 103083115
1-[2-[(3-methoxycyclopentyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 114117925
1-butyl-3-(3-methoxycyclopentyl)urea
CID 103082290

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-methoxycyclopentyl]-1-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-[(1S,3S)-3-methoxycyclopentyl]-1-azabicyclo[3.1.0]hexane-3-carboxamide (CID 141395652) is N-[(1S,3S)-3-methoxycyclopentyl]-1-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-[(1S,3S)-3-methoxycyclopentyl]-1-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-[(1S,3S)-3-methoxycyclopentyl]-1-azabicyclo[3.1.0]hexane-3-carboxamide is CO[C@H]1CC[C@H](NC(=O)C2CC3CN3C2)C1.
What is the InChIKey of N-[(1S,3S)-3-methoxycyclopentyl]-1-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is QCHQJXMEUCWLAA-LJBRSCCQSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-16-11-3-2-9(5-11)13-12(15)8-4-10-7-14(10)6-8/h8-11H,2-7H2,1H3,(H,13,15)/t8?,9-,10?,11-,14?/m0/s1.
What are the key properties of N-[(1S,3S)-3-methoxycyclopentyl]-1-azabicyclo[3.1.0]hexane-3-carboxamide?
N-[(1S,3S)-3-methoxycyclopentyl]-1-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-methoxycyclopentyl]-1-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 141395652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).