[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl (2R)-1-butanoylpyrrolidine-2-carboxylate

C18H32N2O4 — CID 95344412

IUPAC[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl (2R)-1-butanoylpyrrolidine-2-carboxylate
SMILESCCCC(=O)N1CCC[C@@H]1C(=O)OC[C@H]1CN(CC(C)C)CCO1
InChIInChI=1S/C18H32N2O4/c1-4-6-17(21)20-8-5-7-16(20)18(22)24-13-15-12-19(9-10-23-15)11-14(2)3/h14-16H,4-13H2,1-3H3/t15-,16-/m1/s1
InChIKeyOIXRNQCPZGDUIB-HZPDHXFCSA-N
MW340.46 g/mol
LogP1.68
Rot. Bonds7

About [(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl (2R)-1-butanoylpyrrolidine-2-carboxylate

[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl (2R)-1-butanoylpyrrolidine-2-carboxylate (PubChem CID 95344412) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is [(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl (2R)-1-butanoylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl (2R)-1-butanoylpyrrolidine-2-carboxylate
PubChem CID95344412
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC Name[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl (2R)-1-butanoylpyrrolidine-2-carboxylate
SMILESCCCC(=O)N1CCC[C@@H]1C(=O)OC[C@H]1CN(CC(C)C)CCO1
InChIInChI=1S/C18H32N2O4/c1-4-6-17(21)20-8-5-7-16(20)18(22)24-13-15-12-19(9-10-23-15)11-14(2)3/h14-16H,4-13H2,1-3H3/t15-,16-/m1/s1
InChIKeyOIXRNQCPZGDUIB-HZPDHXFCSA-N
XLogP1.68
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl (2R)-1-butanoylpyrrolidine-2-carboxylate 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

[4-(2-methylpropyl)morpholin-2-yl]methyl cyclobutanecarboxylate
CID 78832861
[4-(2-methylpropyl)morpholin-2-yl]methyl 2-cyclohexylacetate
CID 78831240
(2R)-2-[[4-(2-methylpropyl)morpholin-2-yl]methoxy]propanoic acid
CID 104875585
(2S)-4-(2-methylpropyl)-2-(pentoxymethyl)morpholine
CID 167191290
methyl 3-(2-ethylmorpholin-4-yl)-2-methylpropanoate
CID 43562855
ethyl 4-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]butanoate
CID 60687522
ethyl 1-propanoylpyrrolidine-2-carboxylate
CID 11845503
(2S)-1-butanoylpyrrolidine-2-carboxamide;molecular hydrogen
CID 142833543
ethyl (2R)-1-[6-[(2R)-2-ethoxycarbonylpyrrolidin-1-yl]-6-oxohexanoyl]pyrrolidine-2-carboxylate
CID 10150705
1-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119592957
[(3S)-1-phenylpyrrolidin-3-yl]methyl (2S)-1-butanoylpyrrolidine-2-carboxylate
CID 95635064
tert-butyl (2S)-1-butanoylpiperidine-2-carboxylate
CID 139635911

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl (2R)-1-butanoylpyrrolidine-2-carboxylate?
The IUPAC name of [(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl (2R)-1-butanoylpyrrolidine-2-carboxylate (CID 95344412) is [(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl (2R)-1-butanoylpyrrolidine-2-carboxylate.
What is the SMILES notation for [(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl (2R)-1-butanoylpyrrolidine-2-carboxylate?
The canonical SMILES for [(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl (2R)-1-butanoylpyrrolidine-2-carboxylate is CCCC(=O)N1CCC[C@@H]1C(=O)OC[C@H]1CN(CC(C)C)CCO1.
What is the InChIKey of [(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl (2R)-1-butanoylpyrrolidine-2-carboxylate?
The InChIKey is OIXRNQCPZGDUIB-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H32N2O4/c1-4-6-17(21)20-8-5-7-16(20)18(22)24-13-15-12-19(9-10-23-15)11-14(2)3/h14-16H,4-13H2,1-3H3/t15-,16-/m1/s1.
What are the key properties of [(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl (2R)-1-butanoylpyrrolidine-2-carboxylate?
[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl (2R)-1-butanoylpyrrolidine-2-carboxylate has a molecular weight of 340.46 g/mol, XLogP of 1.68, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl (2R)-1-butanoylpyrrolidine-2-carboxylate is sourced from PubChem (CID 95344412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).