4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid

C13H24N2O2 — CID 117269914

IUPAC4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)N1CCC(CC2CNC(C(=O)O)C2)C1
InChIInChI=1S/C13H24N2O2/c1-9(2)15-4-3-10(8-15)5-11-6-12(13(16)17)14-7-11/h9-12,14H,3-8H2,1-2H3,(H,16,17)
InChIKeyRULQZEHMKRDXMJ-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.17
Rot. Bonds4

About 4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid

4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 117269914) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID117269914
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)N1CCC(CC2CNC(C(=O)O)C2)C1
InChIInChI=1S/C13H24N2O2/c1-9(2)15-4-3-10(8-15)5-11-6-12(13(16)17)14-7-11/h9-12,14H,3-8H2,1-2H3,(H,16,17)
InChIKeyRULQZEHMKRDXMJ-UHFFFAOYSA-N
XLogP1.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-4-(cyclohexylmethyl)pyrrolidine-2-carboxylic acid
CID 10036061
3-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpyrrolidine
CID 177228245
1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine
CID 171094387
(1-propan-2-ylpyrrolidin-3-yl)methanol
CID 16641305
(4S)-4-(hydroxymethyl)pyrrolidine-2-carboxylic acid
CID 5318293
methyl 4-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-2-carboxylate
CID 117269861
methyl 4-[(1-methylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate
CID 117270104
methyl 4-[(1-methylpiperidin-4-yl)methyl]pyrrolidine-2-carboxylate
CID 117269936
4-(2,2-dimethoxyethyl)pyrrolidine-2-carboxylic acid
CID 175574261
methyl (Z)-5-(1-propan-2-ylpyrrolidin-3-yl)pent-3-enoate
CID 117267442
(2S,4R)-4-(aminomethyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 75176263
(2R)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-2-carboxamide
CID 103814104

Frequently Asked Questions

What is the IUPAC name of 4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid (CID 117269914) is 4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid is CC(C)N1CCC(CC2CNC(C(=O)O)C2)C1.
What is the InChIKey of 4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is RULQZEHMKRDXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9(2)15-4-3-10(8-15)5-11-6-12(13(16)17)14-7-11/h9-12,14H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid?
4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 240.35 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 117269914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).