5-(propan-2-yloxymethyl)pyrrolidine-2-carboxylic acid

C9H17NO3 — CID 112574811

IUPAC5-(propan-2-yloxymethyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)OCC1CCC(C(=O)O)N1
InChIInChI=1S/C9H17NO3/c1-6(2)13-5-7-3-4-8(10-7)9(11)12/h6-8,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyFVHFBEOQHKYUSX-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.62
Rot. Bonds4

About 5-(propan-2-yloxymethyl)pyrrolidine-2-carboxylic acid

5-(propan-2-yloxymethyl)pyrrolidine-2-carboxylic acid (PubChem CID 112574811) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 5-(propan-2-yloxymethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(propan-2-yloxymethyl)pyrrolidine-2-carboxylic acid
PubChem CID112574811
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name5-(propan-2-yloxymethyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)OCC1CCC(C(=O)O)N1
InChIInChI=1S/C9H17NO3/c1-6(2)13-5-7-3-4-8(10-7)9(11)12/h6-8,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyFVHFBEOQHKYUSX-UHFFFAOYSA-N
XLogP0.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(methoxymethyl)pyrrolidine-2-carboxylic acid
CID 112575004
5-(3-methoxypropyl)pyrrolidine-2-carboxylic acid
CID 112574893
(2S,5S)-5-(1-carboxyethyl)pyrrolidine-2-carboxylic acid
CID 101341979
5-(1-methoxypropan-2-yl)pyrrolidine-2-carboxylic acid
CID 112575064
5-heptylpyrrolidine-2-carboxylic acid
CID 112574667
5-(3-methylbutan-2-yl)pyrrolidine-2-carboxylic acid
CID 130705030
5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 112574857
(2S,5R)-5-methylpyrrolidine-2-carboxylic acid
CID 6995039
3-(propan-2-yloxymethyl)thiazetidine 1-oxide
CID 176568564
(2S,5S)-5-ethoxycarbonylpyrrolidine-2-carboxylic acid
CID 54457263
(2S,5S)-5-(1-carboxypropyl)pyrrolidine-2-carboxylic acid
CID 143979713
(2S)-2-(propan-2-yloxymethyl)pyrrolidine
CID 28802468

Frequently Asked Questions

What is the IUPAC name of 5-(propan-2-yloxymethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 5-(propan-2-yloxymethyl)pyrrolidine-2-carboxylic acid (CID 112574811) is 5-(propan-2-yloxymethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 5-(propan-2-yloxymethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 5-(propan-2-yloxymethyl)pyrrolidine-2-carboxylic acid is CC(C)OCC1CCC(C(=O)O)N1.
What is the InChIKey of 5-(propan-2-yloxymethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is FVHFBEOQHKYUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-6(2)13-5-7-3-4-8(10-7)9(11)12/h6-8,10H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 5-(propan-2-yloxymethyl)pyrrolidine-2-carboxylic acid?
5-(propan-2-yloxymethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 187.24 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propan-2-yloxymethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 112574811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).