[(2S)-1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-3-(2,3-dihydro-1H-inden-2-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate

C24H32N4O4 — CID 58582068

IUPAC[(2S)-1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-3-(2,3-dihydro-1H-inden-2-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate
SMILESCCN1CCC(C#N)(NC(=O)[C@H](CC2Cc3ccccc3C2)OC(=O)N2CCOCC2)C1
InChIInChI=1S/C24H32N4O4/c1-2-27-8-7-24(16-25,17-27)26-22(29)21(32-23(30)28-9-11-31-12-10-28)15-18-13-19-5-3-4-6-20(19)14-18/h3-6,18,21H,2,7-15,17H2,1H3,(H,26,29)/t21-,24?/m0/s1
InChIKeyZCEMRWNCMKFQKF-XEGCMXMBSA-N
MW440.54 g/mol
LogP1.73
Rot. Bonds6

About [(2S)-1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-3-(2,3-dihydro-1H-inden-2-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate

[(2S)-1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-3-(2,3-dihydro-1H-inden-2-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate (PubChem CID 58582068) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is [(2S)-1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-3-(2,3-dihydro-1H-inden-2-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[(2S)-1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-3-(2,3-dihydro-1H-inden-2-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate
PubChem CID58582068
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Name[(2S)-1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-3-(2,3-dihydro-1H-inden-2-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate
SMILESCCN1CCC(C#N)(NC(=O)[C@H](CC2Cc3ccccc3C2)OC(=O)N2CCOCC2)C1
InChIInChI=1S/C24H32N4O4/c1-2-27-8-7-24(16-25,17-27)26-22(29)21(32-23(30)28-9-11-31-12-10-28)15-18-13-19-5-3-4-6-20(19)14-18/h3-6,18,21H,2,7-15,17H2,1H3,(H,26,29)/t21-,24?/m0/s1
InChIKeyZCEMRWNCMKFQKF-XEGCMXMBSA-N
XLogP1.73
TPSA94.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-3-(2,3-dihydro-1H-inden-2-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate with MolForge

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Related Compounds

[(2S)-1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-3-(2,3-dihydro-1H-inden-1-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate
CID 58582067
[(2S)-1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-5-methyl-1-oxohexan-2-yl] morpholine-4-carboxylate
CID 58582116
[(2S)-1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl] morpholine-4-carboxylate
CID 58582024
[(2S)-1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-4-methyl-1-oxopent-4-en-2-yl] morpholine-4-carboxylate
CID 58582013
[(2S)-1-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl] morpholine-4-carboxylate
CID 10162619
[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4-methyl-1-oxopentan-2-yl] morpholine-4-carboxylate
CID 23589459
[(2S)-1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-(1-methylcyclohexyl)-1-oxopropan-2-yl] morpholine-4-carboxylate
CID 58582104
N-[1-[[3-cyano-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 22260441
N-[3-cyano-1-(2-phenylethyl)pyrrolidin-3-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide
CID 18768952
[1-[(1-cyano-1-phenylmethoxyethyl)amino]-3-(4,8-dimethylspiro[2.5]octan-6-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate
CID 68833474
[1-[(1-cyano-1-phenylmethoxyethyl)amino]-3-(2,3-dihydro-1H-inden-1-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate
CID 68829283
N-[1-[[4-cyano-1-(2-methoxyphenyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 22260612

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-3-(2,3-dihydro-1H-inden-2-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate?
The IUPAC name of [(2S)-1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-3-(2,3-dihydro-1H-inden-2-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate (CID 58582068) is [(2S)-1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-3-(2,3-dihydro-1H-inden-2-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate.
What is the SMILES notation for [(2S)-1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-3-(2,3-dihydro-1H-inden-2-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate?
The canonical SMILES for [(2S)-1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-3-(2,3-dihydro-1H-inden-2-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate is CCN1CCC(C#N)(NC(=O)[C@H](CC2Cc3ccccc3C2)OC(=O)N2CCOCC2)C1.
What is the InChIKey of [(2S)-1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-3-(2,3-dihydro-1H-inden-2-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate?
The InChIKey is ZCEMRWNCMKFQKF-XEGCMXMBSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-2-27-8-7-24(16-25,17-27)26-22(29)21(32-23(30)28-9-11-31-12-10-28)15-18-13-19-5-3-4-6-20(19)14-18/h3-6,18,21H,2,7-15,17H2,1H3,(H,26,29)/t21-,24?/m0/s1.
What are the key properties of [(2S)-1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-3-(2,3-dihydro-1H-inden-2-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate?
[(2S)-1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-3-(2,3-dihydro-1H-inden-2-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate has a molecular weight of 440.54 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-3-(2,3-dihydro-1H-inden-2-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate is sourced from PubChem (CID 58582068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).