2-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]acetic acid

C9H17NO3 — CID 134233428

IUPAC2-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]acetic acid
SMILESCC(C)N1C[C@H](O)C[C@H]1CC(=O)O
InChIInChI=1S/C9H17NO3/c1-6(2)10-5-8(11)3-7(10)4-9(12)13/h6-8,11H,3-5H2,1-2H3,(H,12,13)/t7-,8+/m0/s1
InChIKeyFCZHHMIUAXDXCQ-JGVFFNPUSA-N
MW187.24 g/mol
LogP0.30
Rot. Bonds3

About 2-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]acetic acid

2-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]acetic acid (PubChem CID 134233428) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]acetic acid
PubChem CID134233428
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]acetic acid
SMILESCC(C)N1C[C@H](O)C[C@H]1CC(=O)O
InChIInChI=1S/C9H17NO3/c1-6(2)10-5-8(11)3-7(10)4-9(12)13/h6-8,11H,3-5H2,1-2H3,(H,12,13)/t7-,8+/m0/s1
InChIKeyFCZHHMIUAXDXCQ-JGVFFNPUSA-N
XLogP0.30
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]acetic acid (CID 134233428) is 2-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]acetic acid is CC(C)N1C[C@H](O)C[C@H]1CC(=O)O.
What is the InChIKey of 2-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]acetic acid?
The InChIKey is FCZHHMIUAXDXCQ-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H17NO3/c1-6(2)10-5-8(11)3-7(10)4-9(12)13/h6-8,11H,3-5H2,1-2H3,(H,12,13)/t7-,8+/m0/s1.
What are the key properties of 2-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]acetic acid?
2-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]acetic acid has a molecular weight of 187.24 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 134233428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).