4-hydroxy-1-(2-methylpropoxycarbonyl)pyrrolidine-2-carboxylic acid

C10H17NO5 — CID 646507

IUPAC4-hydroxy-1-(2-methylpropoxycarbonyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)COC(=O)N1CC(O)CC1C(=O)O
InChIInChI=1S/C10H17NO5/c1-6(2)5-16-10(15)11-4-7(12)3-8(11)9(13)14/h6-8,12H,3-5H2,1-2H3,(H,13,14)
InChIKeyOUVWVZXFLLDJCI-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.30
Rot. Bonds3

About 4-hydroxy-1-(2-methylpropoxycarbonyl)pyrrolidine-2-carboxylic acid

4-hydroxy-1-(2-methylpropoxycarbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 646507) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-hydroxy-1-(2-methylpropoxycarbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(2-methylpropoxycarbonyl)pyrrolidine-2-carboxylic acid
PubChem CID646507
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name4-hydroxy-1-(2-methylpropoxycarbonyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)COC(=O)N1CC(O)CC1C(=O)O
InChIInChI=1S/C10H17NO5/c1-6(2)5-16-10(15)11-4-7(12)3-8(11)9(13)14/h6-8,12H,3-5H2,1-2H3,(H,13,14)
InChIKeyOUVWVZXFLLDJCI-UHFFFAOYSA-N
XLogP0.30
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-methylpropoxycarbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(2-methylpropoxycarbonyl)pyrrolidine-2-carboxylic acid (CID 646507) is 4-hydroxy-1-(2-methylpropoxycarbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(2-methylpropoxycarbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(2-methylpropoxycarbonyl)pyrrolidine-2-carboxylic acid is CC(C)COC(=O)N1CC(O)CC1C(=O)O.
What is the InChIKey of 4-hydroxy-1-(2-methylpropoxycarbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is OUVWVZXFLLDJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-6(2)5-16-10(15)11-4-7(12)3-8(11)9(13)14/h6-8,12H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 4-hydroxy-1-(2-methylpropoxycarbonyl)pyrrolidine-2-carboxylic acid?
4-hydroxy-1-(2-methylpropoxycarbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-methylpropoxycarbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 646507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).