(2R,2'S)-1'-[(2S)-3-cyclopropyl-2-(methylamino)propanoyl]-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-2'-carboxamide

C18H23N5O4 — CID 171550092

IUPAC(2R,2'S)-1'-[(2S)-3-cyclopropyl-2-(methylamino)propanoyl]-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-2'-carboxamide
SMILESCN[C@@H](CC1CC1)C(=O)N1C[C@@]2(C[C@H]1C(N)=O)Oc1cccnc1NC2=O
InChIInChI=1S/C18H23N5O4/c1-20-11(7-10-4-5-10)16(25)23-9-18(8-12(23)14(19)24)17(26)22-15-13(27-18)3-2-6-21-15/h2-3,6,10-12,20H,4-5,7-9H2,1H3,(H2,19,24)(H,21,22,26)/t11-,12-,18+/m0/s1
InChIKeyDVWLZTLGAODGGJ-OAVHHTNSSA-N
MW373.41 g/mol
LogP-0.37
Rot. Bonds5

About (2R,2'S)-1'-[(2S)-3-cyclopropyl-2-(methylamino)propanoyl]-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-2'-carboxamide

(2R,2'S)-1'-[(2S)-3-cyclopropyl-2-(methylamino)propanoyl]-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-2'-carboxamide (PubChem CID 171550092) has the molecular formula C18H23N5O4 and a molecular weight of 373.41 g/mol. Its IUPAC name is (2R,2'S)-1'-[(2S)-3-cyclopropyl-2-(methylamino)propanoyl]-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-2'-carboxamide.

Molecular Properties

Compound Name(2R,2'S)-1'-[(2S)-3-cyclopropyl-2-(methylamino)propanoyl]-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-2'-carboxamide
PubChem CID171550092
Molecular FormulaC18H23N5O4
Molecular Weight373.41 g/mol
Exact Mass373.18
IUPAC Name(2R,2'S)-1'-[(2S)-3-cyclopropyl-2-(methylamino)propanoyl]-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-2'-carboxamide
SMILESCN[C@@H](CC1CC1)C(=O)N1C[C@@]2(C[C@H]1C(N)=O)Oc1cccnc1NC2=O
InChIInChI=1S/C18H23N5O4/c1-20-11(7-10-4-5-10)16(25)23-9-18(8-12(23)14(19)24)17(26)22-15-13(27-18)3-2-6-21-15/h2-3,6,10-12,20H,4-5,7-9H2,1H3,(H2,19,24)(H,21,22,26)/t11-,12-,18+/m0/s1
InChIKeyDVWLZTLGAODGGJ-OAVHHTNSSA-N
XLogP-0.37
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,2'S)-1'-[(2S)-3-cyclopropyl-2-(methylamino)propanoyl]-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-2'-carboxamide?
The IUPAC name of (2R,2'S)-1'-[(2S)-3-cyclopropyl-2-(methylamino)propanoyl]-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-2'-carboxamide (CID 171550092) is (2R,2'S)-1'-[(2S)-3-cyclopropyl-2-(methylamino)propanoyl]-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-2'-carboxamide.
What is the SMILES notation for (2R,2'S)-1'-[(2S)-3-cyclopropyl-2-(methylamino)propanoyl]-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-2'-carboxamide?
The canonical SMILES for (2R,2'S)-1'-[(2S)-3-cyclopropyl-2-(methylamino)propanoyl]-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-2'-carboxamide is CN[C@@H](CC1CC1)C(=O)N1C[C@@]2(C[C@H]1C(N)=O)Oc1cccnc1NC2=O.
What is the InChIKey of (2R,2'S)-1'-[(2S)-3-cyclopropyl-2-(methylamino)propanoyl]-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-2'-carboxamide?
The InChIKey is DVWLZTLGAODGGJ-OAVHHTNSSA-N. The full InChI is InChI=1S/C18H23N5O4/c1-20-11(7-10-4-5-10)16(25)23-9-18(8-12(23)14(19)24)17(26)22-15-13(27-18)3-2-6-21-15/h2-3,6,10-12,20H,4-5,7-9H2,1H3,(H2,19,24)(H,21,22,26)/t11-,12-,18+/m0/s1.
What are the key properties of (2R,2'S)-1'-[(2S)-3-cyclopropyl-2-(methylamino)propanoyl]-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-2'-carboxamide?
(2R,2'S)-1'-[(2S)-3-cyclopropyl-2-(methylamino)propanoyl]-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-2'-carboxamide has a molecular weight of 373.41 g/mol, XLogP of -0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,2'S)-1'-[(2S)-3-cyclopropyl-2-(methylamino)propanoyl]-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-2'-carboxamide is sourced from PubChem (CID 171550092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).