2-methylpropyl (2S,4R)-4-hydroxy-2-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]pyrrolidine-1-carboxylate

C17H30N2O4 — CID 126339316

IUPAC2-methylpropyl (2S,4R)-4-hydroxy-2-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]pyrrolidine-1-carboxylate
SMILESCC(C)COC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H]1CCCC[C@H]1C
InChIInChI=1S/C17H30N2O4/c1-11(2)10-23-17(22)19-9-13(20)8-15(19)16(21)18-14-7-5-4-6-12(14)3/h11-15,20H,4-10H2,1-3H3,(H,18,21)/t12-,13-,14+,15+/m1/s1
InChIKeyCRQDBXCFZYRLAP-KBXIAJHMSA-N
MW326.44 g/mol
LogP1.91
Rot. Bonds4

About 2-methylpropyl (2S,4R)-4-hydroxy-2-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]pyrrolidine-1-carboxylate

2-methylpropyl (2S,4R)-4-hydroxy-2-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 126339316) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-methylpropyl (2S,4R)-4-hydroxy-2-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl (2S,4R)-4-hydroxy-2-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]pyrrolidine-1-carboxylate
PubChem CID126339316
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Name2-methylpropyl (2S,4R)-4-hydroxy-2-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]pyrrolidine-1-carboxylate
SMILESCC(C)COC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H]1CCCC[C@H]1C
InChIInChI=1S/C17H30N2O4/c1-11(2)10-23-17(22)19-9-13(20)8-15(19)16(21)18-14-7-5-4-6-12(14)3/h11-15,20H,4-10H2,1-3H3,(H,18,21)/t12-,13-,14+,15+/m1/s1
InChIKeyCRQDBXCFZYRLAP-KBXIAJHMSA-N
XLogP1.91
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methylpropyl (2S,4R)-4-hydroxy-2-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

2-methylpropyl (2S,4R)-2-(cyclooctylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylate
CID 126005957
benzyl (2S,4R)-4-hydroxy-2-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]pyrrolidine-1-carboxylate
CID 124592795
2-methylpropyl (2S,4R)-2-[(4-fluorophenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 774384
2-methylpropyl (2S,4S)-4-hydroxy-2-[(4-iodo-2,6-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 40830383
(2R,4R)-4-hydroxy-1-[(2-methylcycloheptyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 79013678
2-methylpropyl (2R,4R)-2-[(2,4-dimethylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 40592800
2-methylpropyl (2S,4R)-2-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 1233021
2-methylpropyl (2S)-2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate
CID 6545801
2-methylpropyl 2-[[4-(1-adamantyl)phenyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 3761596
2-methylpropyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 102785992
2-O-methyl 1-O-(2-methylpropyl) (2R)-piperidine-1,2-dicarboxylate
CID 115536150
2-[(Z)-(1-amino-4-methylpentylidene)amino]oxy-N-(2-methylcyclohexyl)acetamide
CID 47446463

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl (2S,4R)-4-hydroxy-2-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of 2-methylpropyl (2S,4R)-4-hydroxy-2-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]pyrrolidine-1-carboxylate (CID 126339316) is 2-methylpropyl (2S,4R)-4-hydroxy-2-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl (2S,4R)-4-hydroxy-2-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl (2S,4R)-4-hydroxy-2-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]pyrrolidine-1-carboxylate is CC(C)COC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H]1CCCC[C@H]1C.
What is the InChIKey of 2-methylpropyl (2S,4R)-4-hydroxy-2-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is CRQDBXCFZYRLAP-KBXIAJHMSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-11(2)10-23-17(22)19-9-13(20)8-15(19)16(21)18-14-7-5-4-6-12(14)3/h11-15,20H,4-10H2,1-3H3,(H,18,21)/t12-,13-,14+,15+/m1/s1.
What are the key properties of 2-methylpropyl (2S,4R)-4-hydroxy-2-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]pyrrolidine-1-carboxylate?
2-methylpropyl (2S,4R)-4-hydroxy-2-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 326.44 g/mol, XLogP of 1.91, 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)-4-hydroxy-2-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 126339316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).