(5R)-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-N-[(2S,3R)-1-(methylamino)-1-oxo-3-phenylmethoxybutan-2-yl]-2,7-diazaspiro[3.4]octane-5-carboxamide

C25H36N4O4 — CID 164604496

IUPAC(5R)-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-N-[(2S,3R)-1-(methylamino)-1-oxo-3-phenylmethoxybutan-2-yl]-2,7-diazaspiro[3.4]octane-5-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)[C@H]1CNCC12CN(C(=O)[C@H]1CC1(C)C)C2)[C@@H](C)OCc1ccccc1
InChIInChI=1S/C25H36N4O4/c1-16(33-12-17-8-6-5-7-9-17)20(22(31)26-4)28-21(30)19-11-27-13-25(19)14-29(15-25)23(32)18-10-24(18,2)3/h5-9,16,18-20,27H,10-15H2,1-4H3,(H,26,31)(H,28,30)/t16-,18-,19-,20+/m1/s1
InChIKeyHACRHRWPAJDQIC-AFYVEPGGSA-N
MW456.59 g/mol
LogP0.92
Rot. Bonds8

About (5R)-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-N-[(2S,3R)-1-(methylamino)-1-oxo-3-phenylmethoxybutan-2-yl]-2,7-diazaspiro[3.4]octane-5-carboxamide

(5R)-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-N-[(2S,3R)-1-(methylamino)-1-oxo-3-phenylmethoxybutan-2-yl]-2,7-diazaspiro[3.4]octane-5-carboxamide (PubChem CID 164604496) has the molecular formula C25H36N4O4 and a molecular weight of 456.59 g/mol. Its IUPAC name is (5R)-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-N-[(2S,3R)-1-(methylamino)-1-oxo-3-phenylmethoxybutan-2-yl]-2,7-diazaspiro[3.4]octane-5-carboxamide.

Molecular Properties

Compound Name(5R)-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-N-[(2S,3R)-1-(methylamino)-1-oxo-3-phenylmethoxybutan-2-yl]-2,7-diazaspiro[3.4]octane-5-carboxamide
PubChem CID164604496
Molecular FormulaC25H36N4O4
Molecular Weight456.59 g/mol
Exact Mass456.27
IUPAC Name(5R)-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-N-[(2S,3R)-1-(methylamino)-1-oxo-3-phenylmethoxybutan-2-yl]-2,7-diazaspiro[3.4]octane-5-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)[C@H]1CNCC12CN(C(=O)[C@H]1CC1(C)C)C2)[C@@H](C)OCc1ccccc1
InChIInChI=1S/C25H36N4O4/c1-16(33-12-17-8-6-5-7-9-17)20(22(31)26-4)28-21(30)19-11-27-13-25(19)14-29(15-25)23(32)18-10-24(18,2)3/h5-9,16,18-20,27H,10-15H2,1-4H3,(H,26,31)(H,28,30)/t16-,18-,19-,20+/m1/s1
InChIKeyHACRHRWPAJDQIC-AFYVEPGGSA-N
XLogP0.92
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (5R)-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-N-[(2S,3R)-1-(methylamino)-1-oxo-3-phenylmethoxybutan-2-yl]-2,7-diazaspiro[3.4]octane-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-N-[(2S,3R)-1-(methylamino)-1-oxo-3-phenylmethoxybutan-2-yl]-2,7-diazaspiro[3.4]octane-5-carboxamide?
The IUPAC name of (5R)-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-N-[(2S,3R)-1-(methylamino)-1-oxo-3-phenylmethoxybutan-2-yl]-2,7-diazaspiro[3.4]octane-5-carboxamide (CID 164604496) is (5R)-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-N-[(2S,3R)-1-(methylamino)-1-oxo-3-phenylmethoxybutan-2-yl]-2,7-diazaspiro[3.4]octane-5-carboxamide.
What is the SMILES notation for (5R)-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-N-[(2S,3R)-1-(methylamino)-1-oxo-3-phenylmethoxybutan-2-yl]-2,7-diazaspiro[3.4]octane-5-carboxamide?
The canonical SMILES for (5R)-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-N-[(2S,3R)-1-(methylamino)-1-oxo-3-phenylmethoxybutan-2-yl]-2,7-diazaspiro[3.4]octane-5-carboxamide is CNC(=O)[C@@H](NC(=O)[C@H]1CNCC12CN(C(=O)[C@H]1CC1(C)C)C2)[C@@H](C)OCc1ccccc1.
What is the InChIKey of (5R)-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-N-[(2S,3R)-1-(methylamino)-1-oxo-3-phenylmethoxybutan-2-yl]-2,7-diazaspiro[3.4]octane-5-carboxamide?
The InChIKey is HACRHRWPAJDQIC-AFYVEPGGSA-N. The full InChI is InChI=1S/C25H36N4O4/c1-16(33-12-17-8-6-5-7-9-17)20(22(31)26-4)28-21(30)19-11-27-13-25(19)14-29(15-25)23(32)18-10-24(18,2)3/h5-9,16,18-20,27H,10-15H2,1-4H3,(H,26,31)(H,28,30)/t16-,18-,19-,20+/m1/s1.
What are the key properties of (5R)-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-N-[(2S,3R)-1-(methylamino)-1-oxo-3-phenylmethoxybutan-2-yl]-2,7-diazaspiro[3.4]octane-5-carboxamide?
(5R)-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-N-[(2S,3R)-1-(methylamino)-1-oxo-3-phenylmethoxybutan-2-yl]-2,7-diazaspiro[3.4]octane-5-carboxamide has a molecular weight of 456.59 g/mol, XLogP of 0.92, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-N-[(2S,3R)-1-(methylamino)-1-oxo-3-phenylmethoxybutan-2-yl]-2,7-diazaspiro[3.4]octane-5-carboxamide is sourced from PubChem (CID 164604496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).