[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] (3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate

C22H30N2O5 — CID 51968209

IUPAC[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] (3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOc1ccc(C)cc1N1C[C@H](C(=O)O[C@H](C)C(=O)NC2CCCCC2)CC1=O
InChIInChI=1S/C22H30N2O5/c1-14-9-10-19(28-3)18(11-14)24-13-16(12-20(24)25)22(27)29-15(2)21(26)23-17-7-5-4-6-8-17/h9-11,15-17H,4-8,12-13H2,1-3H3,(H,23,26)/t15-,16-/m1/s1
InChIKeyJJWLDFVMPCFRAT-HZPDHXFCSA-N
MW402.49 g/mol
LogP2.74
Rot. Bonds6

About [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] (3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate

[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] (3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 51968209) has the molecular formula C22H30N2O5 and a molecular weight of 402.49 g/mol. Its IUPAC name is [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] (3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] (3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID51968209
Molecular FormulaC22H30N2O5
Molecular Weight402.49 g/mol
Exact Mass402.22
IUPAC Name[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] (3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOc1ccc(C)cc1N1C[C@H](C(=O)O[C@H](C)C(=O)NC2CCCCC2)CC1=O
InChIInChI=1S/C22H30N2O5/c1-14-9-10-19(28-3)18(11-14)24-13-16(12-20(24)25)22(27)29-15(2)21(26)23-17-7-5-4-6-8-17/h9-11,15-17H,4-8,12-13H2,1-3H3,(H,23,26)/t15-,16-/m1/s1
InChIKeyJJWLDFVMPCFRAT-HZPDHXFCSA-N
XLogP2.74
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 8946410
[1-(cyclopentylamino)-1-oxopropan-2-yl] 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 24652416
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 8634453
(3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 41025446
(3R)-N-cyclohexyl-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9394498
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] (3R)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9004163
[(2R)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 8956449
N-(4-aminocyclohexyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119476469
1-(2-methoxy-5-methylphenyl)-5-oxo-N,N-di(propan-2-yl)pyrrolidine-3-carboxamide
CID 56530400
(4R)-1-(2-methoxy-5-methylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 41025662
[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 8946465
(4-methoxyphenyl) 1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 42999797

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] (3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] (3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate (CID 51968209) is [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] (3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] (3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] (3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate is COc1ccc(C)cc1N1C[C@H](C(=O)O[C@H](C)C(=O)NC2CCCCC2)CC1=O.
What is the InChIKey of [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] (3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is JJWLDFVMPCFRAT-HZPDHXFCSA-N. The full InChI is InChI=1S/C22H30N2O5/c1-14-9-10-19(28-3)18(11-14)24-13-16(12-20(24)25)22(27)29-15(2)21(26)23-17-7-5-4-6-8-17/h9-11,15-17H,4-8,12-13H2,1-3H3,(H,23,26)/t15-,16-/m1/s1.
What are the key properties of [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] (3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate?
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] (3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 402.49 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] (3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 51968209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).