2-methylpropyl (2S,4R)-2-(cyclooctylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylate

C18H32N2O4 — CID 126005957

IUPAC2-methylpropyl (2S,4R)-2-(cyclooctylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylate
SMILESCC(C)COC(=O)N1C[C@H](O)C[C@H]1C(=O)NC1CCCCCCC1
InChIInChI=1S/C18H32N2O4/c1-13(2)12-24-18(23)20-11-15(21)10-16(20)17(22)19-14-8-6-4-3-5-7-9-14/h13-16,21H,3-12H2,1-2H3,(H,19,22)/t15-,16+/m1/s1
InChIKeyRJKQRAGDOPNJLV-CVEARBPZSA-N
MW340.46 g/mol
LogP2.44
Rot. Bonds4

About 2-methylpropyl (2S,4R)-2-(cyclooctylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylate

2-methylpropyl (2S,4R)-2-(cyclooctylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylate (PubChem CID 126005957) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is 2-methylpropyl (2S,4R)-2-(cyclooctylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl (2S,4R)-2-(cyclooctylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylate
PubChem CID126005957
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC Name2-methylpropyl (2S,4R)-2-(cyclooctylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylate
SMILESCC(C)COC(=O)N1C[C@H](O)C[C@H]1C(=O)NC1CCCCCCC1
InChIInChI=1S/C18H32N2O4/c1-13(2)12-24-18(23)20-11-15(21)10-16(20)17(22)19-14-8-6-4-3-5-7-9-14/h13-16,21H,3-12H2,1-2H3,(H,19,22)/t15-,16+/m1/s1
InChIKeyRJKQRAGDOPNJLV-CVEARBPZSA-N
XLogP2.44
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl (2S,4R)-4-hydroxy-2-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]pyrrolidine-1-carboxylate
CID 126339316
benzyl 2-(cycloheptylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylate
CID 563091
2-methylpropyl (2S)-2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate
CID 6545801
2-methylpropyl (2S,4R)-2-[(4-fluorophenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 774384
2-methylpropyl (2S,4R)-2-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 1233021
2-methylpropyl (2S,4S)-4-hydroxy-2-[(4-iodo-2,6-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 40830383
2-methylpropyl (2R,4R)-2-[(2,4-dimethylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 40592800
benzyl (2S,4R)-2-[[4-[(1S)-1-amino-2-oxo-2-piperidin-1-ylethyl]cyclohexyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 143123443
2-methylpropyl 2-[[4-(1-adamantyl)phenyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 3761596
(2S,4R)-1-(cyclooctylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841825
2-O-methyl 1-O-(2-methylpropyl) (2R)-piperidine-1,2-dicarboxylate
CID 115536150
1-(2-methylpropoxycarbonyl)piperidine-2-carboxylic acid
CID 43176408

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl (2S,4R)-2-(cyclooctylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of 2-methylpropyl (2S,4R)-2-(cyclooctylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylate (CID 126005957) is 2-methylpropyl (2S,4R)-2-(cyclooctylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl (2S,4R)-2-(cyclooctylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl (2S,4R)-2-(cyclooctylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylate is CC(C)COC(=O)N1C[C@H](O)C[C@H]1C(=O)NC1CCCCCCC1.
What is the InChIKey of 2-methylpropyl (2S,4R)-2-(cyclooctylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylate?
The InChIKey is RJKQRAGDOPNJLV-CVEARBPZSA-N. The full InChI is InChI=1S/C18H32N2O4/c1-13(2)12-24-18(23)20-11-15(21)10-16(20)17(22)19-14-8-6-4-3-5-7-9-14/h13-16,21H,3-12H2,1-2H3,(H,19,22)/t15-,16+/m1/s1.
What are the key properties of 2-methylpropyl (2S,4R)-2-(cyclooctylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylate?
2-methylpropyl (2S,4R)-2-(cyclooctylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylate has a molecular weight of 340.46 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl (2S,4R)-2-(cyclooctylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 126005957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).