propan-2-yl (2S)-pyrrolidine-2-carboxylate

C8H15NO2 — CID 14178477

IUPACpropan-2-yl (2S)-pyrrolidine-2-carboxylate
SMILESCC(C)OC(=O)[C@@H]1CCCN1
InChIInChI=1S/C8H15NO2/c1-6(2)11-8(10)7-4-3-5-9-7/h6-7,9H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyNAHHGJMBRWRITI-ZETCQYMHSA-N
MW157.21 g/mol
LogP0.69
Rot. Bonds2

About propan-2-yl (2S)-pyrrolidine-2-carboxylate

propan-2-yl (2S)-pyrrolidine-2-carboxylate (PubChem CID 14178477) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is propan-2-yl (2S)-pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (2S)-pyrrolidine-2-carboxylate
PubChem CID14178477
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namepropan-2-yl (2S)-pyrrolidine-2-carboxylate
SMILESCC(C)OC(=O)[C@@H]1CCCN1
InChIInChI=1S/C8H15NO2/c1-6(2)11-8(10)7-4-3-5-9-7/h6-7,9H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyNAHHGJMBRWRITI-ZETCQYMHSA-N
XLogP0.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Butyl 5-oxo-L-prolinate
CID 107609
Methyl DL-prolinate
CID 94239
Butyl 5-oxopyrrolidine-2-carboxylate
CID 4460732
Methyl D-prolinate
CID 853476
tert-butyl (2R)-pyrrolidine-2-carboxylate hydrochloride
CID 44629909
L-Proline, ethyl ester
CID 79888
Ethyl pyrrolidine-2-carboxylate
CID 550673
methyl L-prolinate hydrochloride
CID 2733200
tert-Butyl L-prolinate hydrochloride
CID 6453107
L-Proline 1,1-dimethylethyl ester
CID 6453108
Methyl D-prolinate hydrochloride
CID 44629857
Methyl L-prolinate
CID 853477

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-pyrrolidine-2-carboxylate?
The IUPAC name of propan-2-yl (2S)-pyrrolidine-2-carboxylate (CID 14178477) is propan-2-yl (2S)-pyrrolidine-2-carboxylate.
What is the SMILES notation for propan-2-yl (2S)-pyrrolidine-2-carboxylate?
The canonical SMILES for propan-2-yl (2S)-pyrrolidine-2-carboxylate is CC(C)OC(=O)[C@@H]1CCCN1.
What is the InChIKey of propan-2-yl (2S)-pyrrolidine-2-carboxylate?
The InChIKey is NAHHGJMBRWRITI-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(2)11-8(10)7-4-3-5-9-7/h6-7,9H,3-5H2,1-2H3/t7-/m0/s1.
What are the key properties of propan-2-yl (2S)-pyrrolidine-2-carboxylate?
propan-2-yl (2S)-pyrrolidine-2-carboxylate has a molecular weight of 157.21 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-pyrrolidine-2-carboxylate is sourced from PubChem (CID 14178477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).