benzyl (2S)-2-(cyclopentylcarbamoyl)pyrrolidine-1-carboxylate

C18H24N2O3 — CID 759070

IUPACbenzyl (2S)-2-(cyclopentylcarbamoyl)pyrrolidine-1-carboxylate
SMILESO=C(NC1CCCC1)[C@@H]1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C18H24N2O3/c21-17(19-15-9-4-5-10-15)16-11-6-12-20(16)18(22)23-13-14-7-2-1-3-8-14/h1-3,7-8,15-16H,4-6,9-13H2,(H,19,21)/t16-/m0/s1
InChIKeyTYXSLEZJQBNJGX-INIZCTEOSA-N
MW316.40 g/mol
LogP2.85
Rot. Bonds4

About benzyl (2S)-2-(cyclopentylcarbamoyl)pyrrolidine-1-carboxylate

benzyl (2S)-2-(cyclopentylcarbamoyl)pyrrolidine-1-carboxylate (PubChem CID 759070) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is benzyl (2S)-2-(cyclopentylcarbamoyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-2-(cyclopentylcarbamoyl)pyrrolidine-1-carboxylate
PubChem CID759070
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Namebenzyl (2S)-2-(cyclopentylcarbamoyl)pyrrolidine-1-carboxylate
SMILESO=C(NC1CCCC1)[C@@H]1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C18H24N2O3/c21-17(19-15-9-4-5-10-15)16-11-6-12-20(16)18(22)23-13-14-7-2-1-3-8-14/h1-3,7-8,15-16H,4-6,9-13H2,(H,19,21)/t16-/m0/s1
InChIKeyTYXSLEZJQBNJGX-INIZCTEOSA-N
XLogP2.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (2S)-2-(aminomethylcarbamoyl)pyrrolidine-1-carboxylate
CID 90822117
benzyl 2-[(4-hydroxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 84577175
phenyl 2-(cyclohexylcarbamoyl)pyrrolidine-1-carboxylate
CID 3112487
(2R)-N-cycloheptyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 95190248
benzyl 2-(cycloheptylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylate
CID 563091
benzyl (2R)-2-(benzenesulfonylcarbamoyl)pyrrolidine-1-carboxylate
CID 89441344
benzyl 2-(prop-2-enylcarbamoyl)pyrrolidine-1-carboxylate
CID 84576697
benzyl 2-benzoylpyrrolidine-1-carboxylate
CID 110357682
benzyl (3R)-3-(cyclooctylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 126009936
benzyl 2-[(4-iodophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 46502069
benzyl 2-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 4092929
[amino-(1-phenylmethoxycarbonylpyrrolidin-2-yl)methylidene]azanium chloride
CID 135905283

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-(cyclopentylcarbamoyl)pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2S)-2-(cyclopentylcarbamoyl)pyrrolidine-1-carboxylate (CID 759070) is benzyl (2S)-2-(cyclopentylcarbamoyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2S)-2-(cyclopentylcarbamoyl)pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2S)-2-(cyclopentylcarbamoyl)pyrrolidine-1-carboxylate is O=C(NC1CCCC1)[C@@H]1CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S)-2-(cyclopentylcarbamoyl)pyrrolidine-1-carboxylate?
The InChIKey is TYXSLEZJQBNJGX-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-17(19-15-9-4-5-10-15)16-11-6-12-20(16)18(22)23-13-14-7-2-1-3-8-14/h1-3,7-8,15-16H,4-6,9-13H2,(H,19,21)/t16-/m0/s1.
What are the key properties of benzyl (2S)-2-(cyclopentylcarbamoyl)pyrrolidine-1-carboxylate?
benzyl (2S)-2-(cyclopentylcarbamoyl)pyrrolidine-1-carboxylate has a molecular weight of 316.40 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-(cyclopentylcarbamoyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 759070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).