(3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylic acid

C9H16N2O2 — CID 68628166

IUPAC(3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CC[C@@H](N2CCCC2)C1
InChIInChI=1S/C9H16N2O2/c12-9(13)11-6-3-8(7-11)10-4-1-2-5-10/h8H,1-7H2,(H,12,13)/t8-/m1/s1
InChIKeyAHONNEBNLPSCGH-MRVPVSSYSA-N
MW184.24 g/mol
LogP0.83
Rot. Bonds1

About (3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylic acid

(3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylic acid (PubChem CID 68628166) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylic acid
PubChem CID68628166
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CC[C@@H](N2CCCC2)C1
InChIInChI=1S/C9H16N2O2/c12-9(13)11-6-3-8(7-11)10-4-1-2-5-10/h8H,1-7H2,(H,12,13)/t8-/m1/s1
InChIKeyAHONNEBNLPSCGH-MRVPVSSYSA-N
XLogP0.83
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-oxo-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid
CID 63175257
2-(dimethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 110479818
2,2-dimethyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 62947088
(3R)-1-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81120190
3-[methyl-(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 63548492
5-oxo-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentanoic acid
CID 63168015
6-oxo-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid
CID 63168060
5-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688502
2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone;dihydrochloride
CID 119877838
2-bromo-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 107905215
methyl 2-oxo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)acetate
CID 112617221
(3S)-3-[4-[[(1S,2S)-2-hydroxycyclohexyl]amino]piperidin-1-yl]pyrrolidine-1-carboxylic acid
CID 68631051

Frequently Asked Questions

What is the IUPAC name of (3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylic acid?
The IUPAC name of (3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylic acid (CID 68628166) is (3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylic acid?
The canonical SMILES for (3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylic acid is O=C(O)N1CC[C@@H](N2CCCC2)C1.
What is the InChIKey of (3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylic acid?
The InChIKey is AHONNEBNLPSCGH-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16N2O2/c12-9(13)11-6-3-8(7-11)10-4-1-2-5-10/h8H,1-7H2,(H,12,13)/t8-/m1/s1.
What are the key properties of (3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylic acid?
(3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylic acid has a molecular weight of 184.24 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 68628166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).