(7-cyano-7-azaspiro[3.5]nonan-2-yl) N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate

C23H35N5O5 — CID 164602989

IUPAC(7-cyano-7-azaspiro[3.5]nonan-2-yl) N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)OC1CC2(CCN(C#N)CC2)C1)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O
InChIInChI=1S/C23H35N5O5/c1-15(2)9-19(21(31)26-17(13-29)10-16-3-6-25-20(16)30)27-22(32)33-18-11-23(12-18)4-7-28(14-24)8-5-23/h13,15-19H,3-12H2,1-2H3,(H,25,30)(H,26,31)(H,27,32)/t16-,17+,19+/m1/s1
InChIKeyGZYGBEDFOFBFMF-AOIWGVFYSA-N
MW461.56 g/mol
LogP1.06
Rot. Bonds9

About (7-cyano-7-azaspiro[3.5]nonan-2-yl) N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate

(7-cyano-7-azaspiro[3.5]nonan-2-yl) N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate (PubChem CID 164602989) has the molecular formula C23H35N5O5 and a molecular weight of 461.56 g/mol. Its IUPAC name is (7-cyano-7-azaspiro[3.5]nonan-2-yl) N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate.

Molecular Properties

Compound Name(7-cyano-7-azaspiro[3.5]nonan-2-yl) N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate
PubChem CID164602989
Molecular FormulaC23H35N5O5
Molecular Weight461.56 g/mol
Exact Mass461.26
IUPAC Name(7-cyano-7-azaspiro[3.5]nonan-2-yl) N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)OC1CC2(CCN(C#N)CC2)C1)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O
InChIInChI=1S/C23H35N5O5/c1-15(2)9-19(21(31)26-17(13-29)10-16-3-6-25-20(16)30)27-22(32)33-18-11-23(12-18)4-7-28(14-24)8-5-23/h13,15-19H,3-12H2,1-2H3,(H,25,30)(H,26,31)(H,27,32)/t16-,17+,19+/m1/s1
InChIKeyGZYGBEDFOFBFMF-AOIWGVFYSA-N
XLogP1.06
TPSA140.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze (7-cyano-7-azaspiro[3.5]nonan-2-yl) N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl 4-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]piperidine-1-carboxylate
CID 145966788
[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl] N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate
CID 164602986
tert-butyl 2-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]-6-azaspiro[3.4]octane-6-carboxylate
CID 164603008
(7-methylsulfonyl-7-azaspiro[3.5]nonan-2-yl) N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate
CID 164603014
tert-butyl 2-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]-7-azaspiro[3.5]nonane-7-carboxylate
CID 164603026
[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl] N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate
CID 164603032
ethyl 4-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]piperidine-1-carboxylate
CID 145972878
tert-butyl 6-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]-2-azaspiro[3.3]heptane-2-carboxylate
CID 164603049
tert-butyl 6-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]-2-azaspiro[3.4]octane-2-carboxylate
CID 164603061
tert-butyl 4-ethyl-4-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]piperidine-1-carboxylate
CID 145964401
Boc-Val-Pip-Ala((S)-2-oxopyrrolidin-3-yl)-al
CID 172456500
tert-butyl N-[(3S,14S,17S,18R,20S)-14-formyl-19,19-dimethyl-2,8,16-trioxo-7-oxa-1,9,15-triazatricyclo[15.4.0.018,20]henicosan-3-yl]carbamate
CID 57846519

Frequently Asked Questions

What is the IUPAC name of (7-cyano-7-azaspiro[3.5]nonan-2-yl) N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate?
The IUPAC name of (7-cyano-7-azaspiro[3.5]nonan-2-yl) N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate (CID 164602989) is (7-cyano-7-azaspiro[3.5]nonan-2-yl) N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate.
What is the SMILES notation for (7-cyano-7-azaspiro[3.5]nonan-2-yl) N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate?
The canonical SMILES for (7-cyano-7-azaspiro[3.5]nonan-2-yl) N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate is CC(C)C[C@H](NC(=O)OC1CC2(CCN(C#N)CC2)C1)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O.
What is the InChIKey of (7-cyano-7-azaspiro[3.5]nonan-2-yl) N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate?
The InChIKey is GZYGBEDFOFBFMF-AOIWGVFYSA-N. The full InChI is InChI=1S/C23H35N5O5/c1-15(2)9-19(21(31)26-17(13-29)10-16-3-6-25-20(16)30)27-22(32)33-18-11-23(12-18)4-7-28(14-24)8-5-23/h13,15-19H,3-12H2,1-2H3,(H,25,30)(H,26,31)(H,27,32)/t16-,17+,19+/m1/s1.
What are the key properties of (7-cyano-7-azaspiro[3.5]nonan-2-yl) N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate?
(7-cyano-7-azaspiro[3.5]nonan-2-yl) N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate has a molecular weight of 461.56 g/mol, XLogP of 1.06, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7-cyano-7-azaspiro[3.5]nonan-2-yl) N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate is sourced from PubChem (CID 164602989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).