(3R)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid

C15H22N2O3 — CID 124682210

IUPAC(3R)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1cc(C(=O)N2CC[C@@H](C(=O)O)C2)c(C)n1C(C)C
InChIInChI=1S/C15H22N2O3/c1-9(2)17-10(3)7-13(11(17)4)14(18)16-6-5-12(8-16)15(19)20/h7,9,12H,5-6,8H2,1-4H3,(H,19,20)/t12-/m1/s1
InChIKeyCTYCMMGAAMDWIU-GFCCVEGCSA-N
MW278.35 g/mol
LogP2.23
Rot. Bonds3

About (3R)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid

(3R)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 124682210) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (3R)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID124682210
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(3R)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1cc(C(=O)N2CC[C@@H](C(=O)O)C2)c(C)n1C(C)C
InChIInChI=1S/C15H22N2O3/c1-9(2)17-10(3)7-13(11(17)4)14(18)16-6-5-12(8-16)15(19)20/h7,9,12H,5-6,8H2,1-4H3,(H,19,20)/t12-/m1/s1
InChIKeyCTYCMMGAAMDWIU-GFCCVEGCSA-N
XLogP2.23
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrole-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 124695003
(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 110698941
(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119539527
(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119489255
(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119577534
(2S)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)piperidine-2-carboxylic acid
CID 129414629
1-[1-(3-chlorophenyl)-2,5-dimethylpyrrole-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354933
(3R)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 124682211
(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119395956
azepan-1-yl-[1-[2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carbonyl]piperidin-4-yl]methanone
CID 78871336
1-(2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 119354818
(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734855

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid (CID 124682210) is (3R)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid is Cc1cc(C(=O)N2CC[C@@H](C(=O)O)C2)c(C)n1C(C)C.
What is the InChIKey of (3R)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is CTYCMMGAAMDWIU-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-9(2)17-10(3)7-13(11(17)4)14(18)16-6-5-12(8-16)15(19)20/h7,9,12H,5-6,8H2,1-4H3,(H,19,20)/t12-/m1/s1.
What are the key properties of (3R)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid?
(3R)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 124682210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).