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

C8H15NO2 — CID 45084886

IUPAC(2S)-1-propan-2-ylpyrrolidine-2-carboxylic acid
SMILESCC(C)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C8H15NO2/c1-6(2)9-5-3-4-7(9)8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)/t7-/m0/s1
InChIKeyCKPAOPWAVKSUPQ-ZETCQYMHSA-N
MW157.21 g/mol
LogP0.94
Rot. Bonds2

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

(2S)-1-propan-2-ylpyrrolidine-2-carboxylic acid (PubChem CID 45084886) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (2S)-1-propan-2-ylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-propan-2-ylpyrrolidine-2-carboxylic acid
PubChem CID45084886
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(2S)-1-propan-2-ylpyrrolidine-2-carboxylic acid
SMILESCC(C)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C8H15NO2/c1-6(2)9-5-3-4-7(9)8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)/t7-/m0/s1
InChIKeyCKPAOPWAVKSUPQ-ZETCQYMHSA-N
XLogP0.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-propan-2-ylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-propan-2-ylpyrrolidine-2-carboxylic acid (CID 45084886) is (2S)-1-propan-2-ylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-propan-2-ylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-propan-2-ylpyrrolidine-2-carboxylic acid is CC(C)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-propan-2-ylpyrrolidine-2-carboxylic acid?
The InChIKey is CKPAOPWAVKSUPQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(2)9-5-3-4-7(9)8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)/t7-/m0/s1.
What are the key properties of (2S)-1-propan-2-ylpyrrolidine-2-carboxylic acid?
(2S)-1-propan-2-ylpyrrolidine-2-carboxylic acid has a molecular weight of 157.21 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-propan-2-ylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 45084886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).