2-methylpropyl (2S,4R)-2-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate

C18H26N2O5 — CID 1233021

IUPAC2-methylpropyl (2S,4R)-2-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
SMILESCCOc1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCC(C)C)cc1
InChIInChI=1S/C18H26N2O5/c1-4-24-15-7-5-13(6-8-15)19-17(22)16-9-14(21)10-20(16)18(23)25-11-12(2)3/h5-8,12,14,16,21H,4,9-11H2,1-3H3,(H,19,22)/t14-,16+/m1/s1
InChIKeyRYOGLUJKNXVFKZ-ZBFHGGJFSA-N
MW350.42 g/mol
LogP2.25
Rot. Bonds6

About 2-methylpropyl (2S,4R)-2-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate

2-methylpropyl (2S,4R)-2-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate (PubChem CID 1233021) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-methylpropyl (2S,4R)-2-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl (2S,4R)-2-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
PubChem CID1233021
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name2-methylpropyl (2S,4R)-2-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
SMILESCCOc1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCC(C)C)cc1
InChIInChI=1S/C18H26N2O5/c1-4-24-15-7-5-13(6-8-15)19-17(22)16-9-14(21)10-20(16)18(23)25-11-12(2)3/h5-8,12,14,16,21H,4,9-11H2,1-3H3,(H,19,22)/t14-,16+/m1/s1
InChIKeyRYOGLUJKNXVFKZ-ZBFHGGJFSA-N
XLogP2.25
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylpropyl (2S,4R)-2-[(4-fluorophenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 774384
2-methylpropyl 2-[[4-(1-adamantyl)phenyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 3761596
(2R,4S)-1-[(4-ethoxyphenyl)carbamothioyl]-4-hydroxypyrrolidine-2-carboxamide
CID 2620727
2-methylpropyl (2R,4R)-2-[(2,4-dimethylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 40592800
2-N-(4-ethoxyphenyl)-1-N-(2-fluorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 6488163
(2R,4R)-1-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000351
2-methylpropyl (2S,4S)-4-hydroxy-2-[(4-iodo-2,6-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 40830383
benzyl (2S,4S)-4-hydroxy-2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 1279403
2-methylpropyl (2S,4R)-2-(cyclooctylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylate
CID 126005957
methyl 2-[(4-ethynylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 174878738
tert-butyl (2S,4S)-4-hydroxy-2-[(4-phenoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 70176092
phenyl (2S,4R)-4-hydroxy-2-(phenylcarbamoyl)pyrrolidine-1-carboxylate
CID 684625

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl (2S,4R)-2-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of 2-methylpropyl (2S,4R)-2-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate (CID 1233021) is 2-methylpropyl (2S,4R)-2-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl (2S,4R)-2-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl (2S,4R)-2-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate is CCOc1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCC(C)C)cc1.
What is the InChIKey of 2-methylpropyl (2S,4R)-2-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate?
The InChIKey is RYOGLUJKNXVFKZ-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-4-24-15-7-5-13(6-8-15)19-17(22)16-9-14(21)10-20(16)18(23)25-11-12(2)3/h5-8,12,14,16,21H,4,9-11H2,1-3H3,(H,19,22)/t14-,16+/m1/s1.
What are the key properties of 2-methylpropyl (2S,4R)-2-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate?
2-methylpropyl (2S,4R)-2-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate has a molecular weight of 350.42 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl (2S,4R)-2-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 1233021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).