propan-2-yl (2R)-1-acetylpyrrolidine-2-carboxylate

C10H17NO3 — CID 131843971

IUPACpropan-2-yl (2R)-1-acetylpyrrolidine-2-carboxylate
SMILESCC(=O)N1CCC[C@@H]1C(=O)OC(C)C
InChIInChI=1S/C10H17NO3/c1-7(2)14-10(13)9-5-4-6-11(9)8(3)12/h7,9H,4-6H2,1-3H3/t9-/m1/s1
InChIKeyBKBVDWUBHMZUPZ-SECBINFHSA-N
MW199.25 g/mol
LogP0.95
Rot. Bonds2

About propan-2-yl (2R)-1-acetylpyrrolidine-2-carboxylate

propan-2-yl (2R)-1-acetylpyrrolidine-2-carboxylate (PubChem CID 131843971) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is propan-2-yl (2R)-1-acetylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (2R)-1-acetylpyrrolidine-2-carboxylate
PubChem CID131843971
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namepropan-2-yl (2R)-1-acetylpyrrolidine-2-carboxylate
SMILESCC(=O)N1CCC[C@@H]1C(=O)OC(C)C
InChIInChI=1S/C10H17NO3/c1-7(2)14-10(13)9-5-4-6-11(9)8(3)12/h7,9H,4-6H2,1-3H3/t9-/m1/s1
InChIKeyBKBVDWUBHMZUPZ-SECBINFHSA-N
XLogP0.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-4-methoxy-4-oxobutan-2-yl] 1-acetylpyrrolidine-2-carboxylate
CID 145029802
propan-2-yl 1-acetylaziridine-2-carboxylate
CID 45085775
octan-2-yl (2S)-1-acetylpyrrolidine-2-carboxylate
CID 18611381
butyl (2S)-1-acetylpyrrolidine-2-carboxylate
CID 58391424
1-acetylpiperidine-2-carboxylic acid;ethane
CID 144674830
1-acetylpyrrolidine-2-carbonyl fluoride;difluoromethane;ethane
CID 143011981
[(2S)-2-propan-2-yloxycarbonylpyrrolidin-1-yl]methylphosphonic acid
CID 25153972
1-[(2R)-1-acetylpiperidin-2-yl]ethanone
CID 58356057
hexyl (2S)-1-acetylpyrrolidine-2-carboxylate
CID 66695142
undecyl 1-acetylpyrrolidine-2-carboxylate
CID 85101195
[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2R)-1-acetylpyrrolidine-2-carboxylate
CID 51925164
methyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 15283061

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R)-1-acetylpyrrolidine-2-carboxylate?
The IUPAC name of propan-2-yl (2R)-1-acetylpyrrolidine-2-carboxylate (CID 131843971) is propan-2-yl (2R)-1-acetylpyrrolidine-2-carboxylate.
What is the SMILES notation for propan-2-yl (2R)-1-acetylpyrrolidine-2-carboxylate?
The canonical SMILES for propan-2-yl (2R)-1-acetylpyrrolidine-2-carboxylate is CC(=O)N1CCC[C@@H]1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl (2R)-1-acetylpyrrolidine-2-carboxylate?
The InChIKey is BKBVDWUBHMZUPZ-SECBINFHSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7(2)14-10(13)9-5-4-6-11(9)8(3)12/h7,9H,4-6H2,1-3H3/t9-/m1/s1.
What are the key properties of propan-2-yl (2R)-1-acetylpyrrolidine-2-carboxylate?
propan-2-yl (2R)-1-acetylpyrrolidine-2-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R)-1-acetylpyrrolidine-2-carboxylate is sourced from PubChem (CID 131843971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).