tert-butyl carbamate;(2S)-pyrrolidine-2-carboxylic acid

C10H20N2O4 — CID 69016089

IUPACtert-butyl carbamate;(2S)-pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(N)=O.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C5H9NO2.C5H11NO2/c7-5(8)4-2-1-3-6-4;1-5(2,3)8-4(6)7/h4,6H,1-3H2,(H,7,8);1-3H3,(H2,6,7)/t4-;/m0./s1
InChIKeyWQZRBLPOVYLBBN-WCCKRBBISA-N
MW232.28 g/mol
LogP0.70
Rot. Bonds1

About tert-butyl carbamate;(2S)-pyrrolidine-2-carboxylic acid

tert-butyl carbamate;(2S)-pyrrolidine-2-carboxylic acid (PubChem CID 69016089) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is tert-butyl carbamate;(2S)-pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Nametert-butyl carbamate;(2S)-pyrrolidine-2-carboxylic acid
PubChem CID69016089
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Nametert-butyl carbamate;(2S)-pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(N)=O.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C5H9NO2.C5H11NO2/c7-5(8)4-2-1-3-6-4;1-5(2,3)8-4(6)7/h4,6H,1-3H2,(H,7,8);1-3H3,(H2,6,7)/t4-;/m0./s1
InChIKeyWQZRBLPOVYLBBN-WCCKRBBISA-N
XLogP0.70
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-pyrrolidine-2-carboxylic acid;urea
CID 11629677
ethyl carbamate;(2S)-pyrrolidine-2-carboxylic acid
CID 159339373
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
pyrrolidine-2-carboxylic acid
CID 614
(213C)azolidine-2-carboxylic acid
CID 10290769
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
tert-butyl (2R)-pyrrolidine-2-carboxylate
CID 6931635
methanethiol;pyrrolidine-2-carboxylic acid
CID 156719137
potassium (2R)-pyrrolidine-2-carboxylic acid
CID 177481174
pyrrolidine-2-carboxylic acid;yttrium
CID 21344974
(2R)-pyrrolidine-2-carboxylic acid;zinc
CID 175434284
bis((2S)-pyrrolidine-2-carboxylic acid);hydrate
CID 67110713

Frequently Asked Questions

What is the IUPAC name of tert-butyl carbamate;(2S)-pyrrolidine-2-carboxylic acid?
The IUPAC name of tert-butyl carbamate;(2S)-pyrrolidine-2-carboxylic acid (CID 69016089) is tert-butyl carbamate;(2S)-pyrrolidine-2-carboxylic acid.
What is the SMILES notation for tert-butyl carbamate;(2S)-pyrrolidine-2-carboxylic acid?
The canonical SMILES for tert-butyl carbamate;(2S)-pyrrolidine-2-carboxylic acid is CC(C)(C)OC(N)=O.O=C(O)[C@@H]1CCCN1.
What is the InChIKey of tert-butyl carbamate;(2S)-pyrrolidine-2-carboxylic acid?
The InChIKey is WQZRBLPOVYLBBN-WCCKRBBISA-N. The full InChI is InChI=1S/C5H9NO2.C5H11NO2/c7-5(8)4-2-1-3-6-4;1-5(2,3)8-4(6)7/h4,6H,1-3H2,(H,7,8);1-3H3,(H2,6,7)/t4-;/m0./s1.
What are the key properties of tert-butyl carbamate;(2S)-pyrrolidine-2-carboxylic acid?
tert-butyl carbamate;(2S)-pyrrolidine-2-carboxylic acid has a molecular weight of 232.28 g/mol, XLogP of 0.70, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl carbamate;(2S)-pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 69016089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).