tert-butyl (2R)-pyrrolidine-2-carboxylate

C9H17NO2 — CID 6931635

IUPACtert-butyl (2R)-pyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1CCCN1
InChIInChI=1S/C9H17NO2/c1-9(2,3)12-8(11)7-5-4-6-10-7/h7,10H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyXJJBXZIKXFOMLP-SSDOTTSWSA-N
MW171.24 g/mol
LogP1.08
Rot. Bonds1

About tert-butyl (2R)-pyrrolidine-2-carboxylate

tert-butyl (2R)-pyrrolidine-2-carboxylate (PubChem CID 6931635) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is tert-butyl (2R)-pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-pyrrolidine-2-carboxylate
PubChem CID6931635
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nametert-butyl (2R)-pyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1CCCN1
InChIInChI=1S/C9H17NO2/c1-9(2,3)12-8(11)7-5-4-6-10-7/h7,10H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyXJJBXZIKXFOMLP-SSDOTTSWSA-N
XLogP1.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R)-azetidine-2-carboxylate;hydrochloride
CID 146049865
N-(benzenesulfonyl)benzenesulfonamide;tert-butyl pyrrolidine-2-carboxylate
CID 74764862
tert-butyl carbamate;(2S)-pyrrolidine-2-carboxylic acid
CID 69016089
[(2S)-pyrrolidine-2-carbonyl] (2S)-pyrrolidine-2-carboxylate
CID 57156307
tert-butyl (2S,4S)-4-hydroxypiperidine-2-carboxylate
CID 96845258
tert-butyl N-amino-N-[(2S)-pyrrolidine-2-carbonyl]carbamate
CID 71283665
2-[(2-methylpropan-2-yl)oxy]ethyl (2S)-pyrrolidine-2-carboxylate
CID 103939547
2-[(2-methylpropan-2-yl)oxy]ethyl (2R)-pyrrolidine-2-carboxylate
CID 103939543
2-(1-adamantyl)propan-2-yl (2S)-pyrrolidine-2-carboxylate
CID 10924276
tert-butyl pyrrolidine-2-carboxylate;3-phenylmethoxypropan-1-ol
CID 142090896
ethane;methanol;methyl pyrrolidine-2-carboxylate
CID 144894204
tert-butyl 6-methylpiperidine-2-carboxylate
CID 78131880

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2R)-pyrrolidine-2-carboxylate (CID 6931635) is tert-butyl (2R)-pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2R)-pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2R)-pyrrolidine-2-carboxylate is CC(C)(C)OC(=O)[C@H]1CCCN1.
What is the InChIKey of tert-butyl (2R)-pyrrolidine-2-carboxylate?
The InChIKey is XJJBXZIKXFOMLP-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H17NO2/c1-9(2,3)12-8(11)7-5-4-6-10-7/h7,10H,4-6H2,1-3H3/t7-/m1/s1.
What are the key properties of tert-butyl (2R)-pyrrolidine-2-carboxylate?
tert-butyl (2R)-pyrrolidine-2-carboxylate has a molecular weight of 171.24 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-pyrrolidine-2-carboxylate is sourced from PubChem (CID 6931635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).