1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-3-carboxylic acid

C13H20N2O3 — CID 79104478

IUPAC1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-3-carboxylic acid
SMILESCC(C)N1CCOC(Cn2ccc(C(=O)O)c2)C1
InChIInChI=1S/C13H20N2O3/c1-10(2)15-5-6-18-12(9-15)8-14-4-3-11(7-14)13(16)17/h3-4,7,10,12H,5-6,8-9H2,1-2H3,(H,16,17)
InChIKeySDKAULGLTCBADF-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.30
Rot. Bonds4

About 1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-3-carboxylic acid

1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-3-carboxylic acid (PubChem CID 79104478) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-3-carboxylic acid
PubChem CID79104478
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-3-carboxylic acid
SMILESCC(C)N1CCOC(Cn2ccc(C(=O)O)c2)C1
InChIInChI=1S/C13H20N2O3/c1-10(2)15-5-6-18-12(9-15)8-14-4-3-11(7-14)13(16)17/h3-4,7,10,12H,5-6,8-9H2,1-2H3,(H,16,17)
InChIKeySDKAULGLTCBADF-UHFFFAOYSA-N
XLogP1.30
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one
CID 79108030
3-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carboxylic acid
CID 102604816
4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 64533273
cyclopropyl-[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]methanone
CID 79182022
1-[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one
CID 79183064
3-methyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 107673545
3-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]benzoic acid
CID 64535093
1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrole-3-carboxylic acid
CID 116522342
1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 64532739
1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carbaldehyde
CID 66407258
1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione
CID 64533566
1-[(4-propan-2-ylmorpholin-2-yl)methyl]imidazole-4-sulfonyl chloride
CID 82913357

Frequently Asked Questions

What is the IUPAC name of 1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-3-carboxylic acid?
The IUPAC name of 1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-3-carboxylic acid (CID 79104478) is 1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-3-carboxylic acid.
What is the SMILES notation for 1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-3-carboxylic acid?
The canonical SMILES for 1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-3-carboxylic acid is CC(C)N1CCOC(Cn2ccc(C(=O)O)c2)C1.
What is the InChIKey of 1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-3-carboxylic acid?
The InChIKey is SDKAULGLTCBADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10(2)15-5-6-18-12(9-15)8-14-4-3-11(7-14)13(16)17/h3-4,7,10,12H,5-6,8-9H2,1-2H3,(H,16,17).
What are the key properties of 1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-3-carboxylic acid?
1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-3-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-3-carboxylic acid is sourced from PubChem (CID 79104478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).