3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propanoic acid

C10H19NO2 — CID 164966134

IUPAC3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propanoic acid
SMILESCC(C)N1CCC[C@H]1CCC(=O)O
InChIInChI=1S/C10H19NO2/c1-8(2)11-7-3-4-9(11)5-6-10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyCMRCQVVFQGLVSN-VIFPVBQESA-N
MW185.27 g/mol
LogP1.72
Rot. Bonds4

About 3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propanoic acid

3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propanoic acid (PubChem CID 164966134) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propanoic acid
PubChem CID164966134
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propanoic acid
SMILESCC(C)N1CCC[C@H]1CCC(=O)O
InChIInChI=1S/C10H19NO2/c1-8(2)11-7-3-4-9(11)5-6-10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyCMRCQVVFQGLVSN-VIFPVBQESA-N
XLogP1.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propanoic acid?
The IUPAC name of 3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propanoic acid (CID 164966134) is 3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propanoic acid?
The canonical SMILES for 3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propanoic acid is CC(C)N1CCC[C@H]1CCC(=O)O.
What is the InChIKey of 3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propanoic acid?
The InChIKey is CMRCQVVFQGLVSN-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(2)11-7-3-4-9(11)5-6-10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)/t9-/m0/s1.
What are the key properties of 3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propanoic acid?
3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propanoic acid is sourced from PubChem (CID 164966134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).