methyl (1S,5R)-3-[(2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-ylmorpholine-2-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate

C20H23N3O5 — CID 157014008

IUPACmethyl (1S,5R)-3-[(2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-ylmorpholine-2-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate
SMILESCOC(=O)C1[C@H]2CN(C(=O)[C@H]3OCC(=O)N(C4CC4)[C@@H]3c3cccnc3)C[C@@H]12
InChIInChI=1S/C20H23N3O5/c1-27-20(26)16-13-8-22(9-14(13)16)19(25)18-17(11-3-2-6-21-7-11)23(12-4-5-12)15(24)10-28-18/h2-3,6-7,12-14,16-18H,4-5,8-10H2,1H3/t13-,14+,16?,17-,18+/m1/s1
InChIKeyCFVQNZSACJNSJQ-ODLRDIKDSA-N
MW385.42 g/mol
LogP0.39
Rot. Bonds4

About methyl (1S,5R)-3-[(2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-ylmorpholine-2-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate

methyl (1S,5R)-3-[(2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-ylmorpholine-2-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate (PubChem CID 157014008) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is methyl (1S,5R)-3-[(2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-ylmorpholine-2-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate.

Molecular Properties

Compound Namemethyl (1S,5R)-3-[(2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-ylmorpholine-2-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate
PubChem CID157014008
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Namemethyl (1S,5R)-3-[(2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-ylmorpholine-2-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate
SMILESCOC(=O)C1[C@H]2CN(C(=O)[C@H]3OCC(=O)N(C4CC4)[C@@H]3c3cccnc3)C[C@@H]12
InChIInChI=1S/C20H23N3O5/c1-27-20(26)16-13-8-22(9-14(13)16)19(25)18-17(11-3-2-6-21-7-11)23(12-4-5-12)15(24)10-28-18/h2-3,6-7,12-14,16-18H,4-5,8-10H2,1H3/t13-,14+,16?,17-,18+/m1/s1
InChIKeyCFVQNZSACJNSJQ-ODLRDIKDSA-N
XLogP0.39
TPSA89.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl (1S,5R)-3-[(2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-ylmorpholine-2-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (1S,5R)-3-[(2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-ylmorpholine-2-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate?
The IUPAC name of methyl (1S,5R)-3-[(2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-ylmorpholine-2-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate (CID 157014008) is methyl (1S,5R)-3-[(2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-ylmorpholine-2-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate.
What is the SMILES notation for methyl (1S,5R)-3-[(2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-ylmorpholine-2-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate?
The canonical SMILES for methyl (1S,5R)-3-[(2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-ylmorpholine-2-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate is COC(=O)C1[C@H]2CN(C(=O)[C@H]3OCC(=O)N(C4CC4)[C@@H]3c3cccnc3)C[C@@H]12.
What is the InChIKey of methyl (1S,5R)-3-[(2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-ylmorpholine-2-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate?
The InChIKey is CFVQNZSACJNSJQ-ODLRDIKDSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-27-20(26)16-13-8-22(9-14(13)16)19(25)18-17(11-3-2-6-21-7-11)23(12-4-5-12)15(24)10-28-18/h2-3,6-7,12-14,16-18H,4-5,8-10H2,1H3/t13-,14+,16?,17-,18+/m1/s1.
What are the key properties of methyl (1S,5R)-3-[(2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-ylmorpholine-2-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate?
methyl (1S,5R)-3-[(2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-ylmorpholine-2-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate has a molecular weight of 385.42 g/mol, XLogP of 0.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,5R)-3-[(2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-ylmorpholine-2-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate is sourced from PubChem (CID 157014008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).