2-[(3R,4R)-4-propan-2-ylpyrrolidin-3-yl]acetic acid

C9H17NO2 — CID 10920964

IUPAC2-[(3R,4R)-4-propan-2-ylpyrrolidin-3-yl]acetic acid
SMILESCC(C)[C@H]1CNC[C@@H]1CC(=O)O
InChIInChI=1S/C9H17NO2/c1-6(2)8-5-10-4-7(8)3-9(11)12/h6-8,10H,3-5H2,1-2H3,(H,11,12)/t7-,8+/m0/s1
InChIKeyGOSOSLNEDCOPDG-JGVFFNPUSA-N
MW171.24 g/mol
LogP0.95
Rot. Bonds3

About 2-[(3R,4R)-4-propan-2-ylpyrrolidin-3-yl]acetic acid

2-[(3R,4R)-4-propan-2-ylpyrrolidin-3-yl]acetic acid (PubChem CID 10920964) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-[(3R,4R)-4-propan-2-ylpyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R,4R)-4-propan-2-ylpyrrolidin-3-yl]acetic acid
PubChem CID10920964
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-[(3R,4R)-4-propan-2-ylpyrrolidin-3-yl]acetic acid
SMILESCC(C)[C@H]1CNC[C@@H]1CC(=O)O
InChIInChI=1S/C9H17NO2/c1-6(2)8-5-10-4-7(8)3-9(11)12/h6-8,10H,3-5H2,1-2H3,(H,11,12)/t7-,8+/m0/s1
InChIKeyGOSOSLNEDCOPDG-JGVFFNPUSA-N
XLogP0.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-4-propan-2-ylpyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[(3R,4R)-4-propan-2-ylpyrrolidin-3-yl]acetic acid (CID 10920964) is 2-[(3R,4R)-4-propan-2-ylpyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R,4R)-4-propan-2-ylpyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[(3R,4R)-4-propan-2-ylpyrrolidin-3-yl]acetic acid is CC(C)[C@H]1CNC[C@@H]1CC(=O)O.
What is the InChIKey of 2-[(3R,4R)-4-propan-2-ylpyrrolidin-3-yl]acetic acid?
The InChIKey is GOSOSLNEDCOPDG-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(2)8-5-10-4-7(8)3-9(11)12/h6-8,10H,3-5H2,1-2H3,(H,11,12)/t7-,8+/m0/s1.
What are the key properties of 2-[(3R,4R)-4-propan-2-ylpyrrolidin-3-yl]acetic acid?
2-[(3R,4R)-4-propan-2-ylpyrrolidin-3-yl]acetic acid has a molecular weight of 171.24 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-4-propan-2-ylpyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 10920964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).