benzyl (2S)-2-[(R)-hydroxy(phenyl)methyl]pyrrolidine-1-carboxylate

C19H21NO3 — CID 15021041

IUPACbenzyl (2S)-2-[(R)-hydroxy(phenyl)methyl]pyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC[C@H]1[C@H](O)c1ccccc1
InChIInChI=1S/C19H21NO3/c21-18(16-10-5-2-6-11-16)17-12-7-13-20(17)19(22)23-14-15-8-3-1-4-9-15/h1-6,8-11,17-18,21H,7,12-14H2/t17-,18+/m0/s1
InChIKeyFRBXYXQTDKCIKE-ZWKOTPCHSA-N
MW311.38 g/mol
LogP3.52
Rot. Bonds4

About benzyl (2S)-2-[(R)-hydroxy(phenyl)methyl]pyrrolidine-1-carboxylate

benzyl (2S)-2-[(R)-hydroxy(phenyl)methyl]pyrrolidine-1-carboxylate (PubChem CID 15021041) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is benzyl (2S)-2-[(R)-hydroxy(phenyl)methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-2-[(R)-hydroxy(phenyl)methyl]pyrrolidine-1-carboxylate
PubChem CID15021041
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Namebenzyl (2S)-2-[(R)-hydroxy(phenyl)methyl]pyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC[C@H]1[C@H](O)c1ccccc1
InChIInChI=1S/C19H21NO3/c21-18(16-10-5-2-6-11-16)17-12-7-13-20(17)19(22)23-14-15-8-3-1-4-9-15/h1-6,8-11,17-18,21H,7,12-14H2/t17-,18+/m0/s1
InChIKeyFRBXYXQTDKCIKE-ZWKOTPCHSA-N
XLogP3.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-[(R)-hydroxy(phenyl)methyl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2S)-2-[(R)-hydroxy(phenyl)methyl]pyrrolidine-1-carboxylate (CID 15021041) is benzyl (2S)-2-[(R)-hydroxy(phenyl)methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2S)-2-[(R)-hydroxy(phenyl)methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2S)-2-[(R)-hydroxy(phenyl)methyl]pyrrolidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC[C@H]1[C@H](O)c1ccccc1.
What is the InChIKey of benzyl (2S)-2-[(R)-hydroxy(phenyl)methyl]pyrrolidine-1-carboxylate?
The InChIKey is FRBXYXQTDKCIKE-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H21NO3/c21-18(16-10-5-2-6-11-16)17-12-7-13-20(17)19(22)23-14-15-8-3-1-4-9-15/h1-6,8-11,17-18,21H,7,12-14H2/t17-,18+/m0/s1.
What are the key properties of benzyl (2S)-2-[(R)-hydroxy(phenyl)methyl]pyrrolidine-1-carboxylate?
benzyl (2S)-2-[(R)-hydroxy(phenyl)methyl]pyrrolidine-1-carboxylate has a molecular weight of 311.38 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-[(R)-hydroxy(phenyl)methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 15021041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).