1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carboxylic acid

C12H18N2O2 — CID 67087121

IUPAC1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(CCCn2cccc2)C1
InChIInChI=1S/C12H18N2O2/c15-12(16)11-4-9-14(10-11)8-3-7-13-5-1-2-6-13/h1-2,5-6,11H,3-4,7-10H2,(H,15,16)
InChIKeyNDKDKDXYBCYTJP-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.28
Rot. Bonds5

About 1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carboxylic acid

1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carboxylic acid (PubChem CID 67087121) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carboxylic acid
PubChem CID67087121
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(CCCn2cccc2)C1
InChIInChI=1S/C12H18N2O2/c15-12(16)11-4-9-14(10-11)8-3-7-13-5-1-2-6-13/h1-2,5-6,11H,3-4,7-10H2,(H,15,16)
InChIKeyNDKDKDXYBCYTJP-UHFFFAOYSA-N
XLogP1.28
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-3-hydroxy-1-(3-pyrrol-1-ylpropyl)piperidine-4-carboxylic acid
CID 135103217
1-(3-methoxypropyl)pyrrolidine-3-carboxylic acid
CID 63032422
(3S)-1-(2-chloroethyl)pyrrolidine-3-carboxylic acid
CID 121473496
1-[4-(diethylamino)-4-oxobutyl]pyrrolidine-3-carboxylic acid
CID 63031858
pyrrolidin-1-yl-[(3R)-1-[1-(3-pyrrol-1-ylpropyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95551816
1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid
CID 64566121
(3R)-1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidine-3-carboxylic acid;hydrochloride
CID 70299237
1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 55151751
1-(4-cyano-4-methylpentyl)pyrrolidine-3-carboxylic acid
CID 65255418
1-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63030679
1-(2-acetamidoethyl)pyrrolidine-3-carboxylic acid
CID 22322840
(3R)-1-[3-(10,12-dihydrobenzo[b][1,5]benzoxazocin-11-yl)propyl]piperidine-3-carboxylic acid
CID 22880169

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carboxylic acid (CID 67087121) is 1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(CCCn2cccc2)C1.
What is the InChIKey of 1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carboxylic acid?
The InChIKey is NDKDKDXYBCYTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c15-12(16)11-4-9-14(10-11)8-3-7-13-5-1-2-6-13/h1-2,5-6,11H,3-4,7-10H2,(H,15,16).
What are the key properties of 1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carboxylic acid?
1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carboxylic acid has a molecular weight of 222.29 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 67087121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).