3-butyl-4-hydroxypyrrolidine-2-carboxylic acid

C9H17NO3 — CID 158746835

IUPAC3-butyl-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCCCC1C(O)CNC1C(=O)O
InChIInChI=1S/C9H17NO3/c1-2-3-4-6-7(11)5-10-8(6)9(12)13/h6-8,10-11H,2-5H2,1H3,(H,12,13)
InChIKeyFYLTWPJOZPFEKC-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.21
Rot. Bonds4

About 3-butyl-4-hydroxypyrrolidine-2-carboxylic acid

3-butyl-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 158746835) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-butyl-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-butyl-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID158746835
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-butyl-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCCCC1C(O)CNC1C(=O)O
InChIInChI=1S/C9H17NO3/c1-2-3-4-6-7(11)5-10-8(6)9(12)13/h6-8,10-11H,2-5H2,1H3,(H,12,13)
InChIKeyFYLTWPJOZPFEKC-UHFFFAOYSA-N
XLogP0.21
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 3-butyl-4-hydroxypyrrolidine-2-carboxylic acid (CID 158746835) is 3-butyl-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-butyl-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-butyl-4-hydroxypyrrolidine-2-carboxylic acid is CCCCC1C(O)CNC1C(=O)O.
What is the InChIKey of 3-butyl-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is FYLTWPJOZPFEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-3-4-6-7(11)5-10-8(6)9(12)13/h6-8,10-11H,2-5H2,1H3,(H,12,13).
What are the key properties of 3-butyl-4-hydroxypyrrolidine-2-carboxylic acid?
3-butyl-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 187.24 g/mol, XLogP of 0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 158746835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).