(2S)-1-acetyl-2-propan-2-ylpyrrolidine-2-carboxylic acid

C10H17NO3 — CID 166000459

IUPAC(2S)-1-acetyl-2-propan-2-ylpyrrolidine-2-carboxylic acid
SMILESCC(=O)N1CCC[C@@]1(C(=O)O)C(C)C
InChIInChI=1S/C10H17NO3/c1-7(2)10(9(13)14)5-4-6-11(10)8(3)12/h7H,4-6H2,1-3H3,(H,13,14)/t10-/m0/s1
InChIKeyOMHYTMSJQXDWQM-JTQLQIEISA-N
MW199.25 g/mol
LogP1.11
Rot. Bonds2

About (2S)-1-acetyl-2-propan-2-ylpyrrolidine-2-carboxylic acid

(2S)-1-acetyl-2-propan-2-ylpyrrolidine-2-carboxylic acid (PubChem CID 166000459) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (2S)-1-acetyl-2-propan-2-ylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-acetyl-2-propan-2-ylpyrrolidine-2-carboxylic acid
PubChem CID166000459
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(2S)-1-acetyl-2-propan-2-ylpyrrolidine-2-carboxylic acid
SMILESCC(=O)N1CCC[C@@]1(C(=O)O)C(C)C
InChIInChI=1S/C10H17NO3/c1-7(2)10(9(13)14)5-4-6-11(10)8(3)12/h7H,4-6H2,1-3H3,(H,13,14)/t10-/m0/s1
InChIKeyOMHYTMSJQXDWQM-JTQLQIEISA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-2-propan-2-ylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-acetyl-2-propan-2-ylpyrrolidine-2-carboxylic acid (CID 166000459) is (2S)-1-acetyl-2-propan-2-ylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-acetyl-2-propan-2-ylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-acetyl-2-propan-2-ylpyrrolidine-2-carboxylic acid is CC(=O)N1CCC[C@@]1(C(=O)O)C(C)C.
What is the InChIKey of (2S)-1-acetyl-2-propan-2-ylpyrrolidine-2-carboxylic acid?
The InChIKey is OMHYTMSJQXDWQM-JTQLQIEISA-N. The full InChI is InChI=1S/C10H17NO3/c1-7(2)10(9(13)14)5-4-6-11(10)8(3)12/h7H,4-6H2,1-3H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-1-acetyl-2-propan-2-ylpyrrolidine-2-carboxylic acid?
(2S)-1-acetyl-2-propan-2-ylpyrrolidine-2-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-2-propan-2-ylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 166000459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).