benzyl (3R)-3-hydroxypyrrolidine-1-carboxylate

C12H15NO3 — CID 11183628

IUPACbenzyl (3R)-3-hydroxypyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CC[C@@H](O)C1
InChIInChI=1S/C12H15NO3/c14-11-6-7-13(8-11)12(15)16-9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2/t11-/m1/s1
InChIKeyMBLJFGOKYTZKMH-LLVKDONJSA-N
MW221.26 g/mol
LogP1.39
Rot. Bonds2

About benzyl (3R)-3-hydroxypyrrolidine-1-carboxylate

benzyl (3R)-3-hydroxypyrrolidine-1-carboxylate (PubChem CID 11183628) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is benzyl (3R)-3-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (3R)-3-hydroxypyrrolidine-1-carboxylate
PubChem CID11183628
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Namebenzyl (3R)-3-hydroxypyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CC[C@@H](O)C1
InChIInChI=1S/C12H15NO3/c14-11-6-7-13(8-11)12(15)16-9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2/t11-/m1/s1
InChIKeyMBLJFGOKYTZKMH-LLVKDONJSA-N
XLogP1.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzyl 4-Hydroxy-1-piperidinecarboxylate
CID 2794620
Z-D-Prolinol
CID 5314177
1-Benzyloxy-3-pyrrolidin-1-yl-propan-2-ol
CID 2881951
3,4-Dimethyl-5-Phenyl-1,3-Oxazolidin-2-One
CID 237192
Ephedroxane
CID 161171
1-(Phenylmethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate
CID 391517
(S)-(+)-1-Cbz-3-pyrrolidinol
CID 13438604
Benzyl 3-hydroxypyrrolidine-1-carboxylate
CID 560953
1-N-Cbz-3-pyrrolidinone
CID 561203
Benzyl N-(3-hydroxypropyl)carbamate
CID 562256
Benzyl 3-pyrroline-1-carboxylate
CID 643471
Benzyl 2-oxopyrrolidine-1-carboxylate
CID 10932936

Frequently Asked Questions

What is the IUPAC name of benzyl (3R)-3-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of benzyl (3R)-3-hydroxypyrrolidine-1-carboxylate (CID 11183628) is benzyl (3R)-3-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (3R)-3-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (3R)-3-hydroxypyrrolidine-1-carboxylate is O=C(OCc1ccccc1)N1CC[C@@H](O)C1.
What is the InChIKey of benzyl (3R)-3-hydroxypyrrolidine-1-carboxylate?
The InChIKey is MBLJFGOKYTZKMH-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15NO3/c14-11-6-7-13(8-11)12(15)16-9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2/t11-/m1/s1.
What are the key properties of benzyl (3R)-3-hydroxypyrrolidine-1-carboxylate?
benzyl (3R)-3-hydroxypyrrolidine-1-carboxylate has a molecular weight of 221.26 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R)-3-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 11183628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).