benzyl 3-ethyl-3-hydroxypyrrolidine-1-carboxylate

C14H19NO3 — CID 134177582

IUPACbenzyl 3-ethyl-3-hydroxypyrrolidine-1-carboxylate
SMILESCCC1(O)CCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H19NO3/c1-2-14(17)8-9-15(11-14)13(16)18-10-12-6-4-3-5-7-12/h3-7,17H,2,8-11H2,1H3
InChIKeyGHPIKMFHYBHNOC-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.17
Rot. Bonds3

About benzyl 3-ethyl-3-hydroxypyrrolidine-1-carboxylate

benzyl 3-ethyl-3-hydroxypyrrolidine-1-carboxylate (PubChem CID 134177582) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is benzyl 3-ethyl-3-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-ethyl-3-hydroxypyrrolidine-1-carboxylate
PubChem CID134177582
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namebenzyl 3-ethyl-3-hydroxypyrrolidine-1-carboxylate
SMILESCCC1(O)CCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H19NO3/c1-2-14(17)8-9-15(11-14)13(16)18-10-12-6-4-3-5-7-12/h3-7,17H,2,8-11H2,1H3
InChIKeyGHPIKMFHYBHNOC-UHFFFAOYSA-N
XLogP2.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane
CID 143991995
3-ethyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 63146599
benzyl 4-hydroxy-4-(2-methylpropyl)piperidine-1-carboxylate
CID 134164536
benzyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 14127359
(3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 71814981
benzyl 3-amino-3-ethylpiperidine-1-carboxylate
CID 165464075
2-(3-hydroxy-1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid
CID 163342503
benzyl 4-(2,2-dimethoxyethoxymethyl)-4-hydroxypiperidine-1-carboxylate
CID 172576280
1-O-benzyl 3-O-ethyl (3S)-3-(hydroxymethyl)pyrrolidine-1,3-dicarboxylate
CID 155818759
benzyl (3R)-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 121242240
benzyl (3R)-3-amino-3-methylpiperidine-1-carboxylate;hydrochloride
CID 119081423
benzyl 4-ethenyl-4-ethylpiperidine-1-carboxylate
CID 177321267

Frequently Asked Questions

What is the IUPAC name of benzyl 3-ethyl-3-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of benzyl 3-ethyl-3-hydroxypyrrolidine-1-carboxylate (CID 134177582) is benzyl 3-ethyl-3-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 3-ethyl-3-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 3-ethyl-3-hydroxypyrrolidine-1-carboxylate is CCC1(O)CCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 3-ethyl-3-hydroxypyrrolidine-1-carboxylate?
The InChIKey is GHPIKMFHYBHNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-14(17)8-9-15(11-14)13(16)18-10-12-6-4-3-5-7-12/h3-7,17H,2,8-11H2,1H3.
What are the key properties of benzyl 3-ethyl-3-hydroxypyrrolidine-1-carboxylate?
benzyl 3-ethyl-3-hydroxypyrrolidine-1-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-ethyl-3-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 134177582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).