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

C14H22N2O3 — CID 102604816

IUPAC3-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carboxylic acid
SMILESCc1ccn(CC2CN(C(C)C)CCO2)c1C(=O)O
InChIInChI=1S/C14H22N2O3/c1-10(2)15-6-7-19-12(8-15)9-16-5-4-11(3)13(16)14(17)18/h4-5,10,12H,6-9H2,1-3H3,(H,17,18)
InChIKeyFMVIHIFKAVFHLP-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.60
Rot. Bonds4

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

3-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carboxylic acid (PubChem CID 102604816) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carboxylic acid
PubChem CID102604816
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carboxylic acid
SMILESCc1ccn(CC2CN(C(C)C)CCO2)c1C(=O)O
InChIInChI=1S/C14H22N2O3/c1-10(2)15-6-7-19-12(8-15)9-16-5-4-11(3)13(16)14(17)18/h4-5,10,12H,6-9H2,1-3H3,(H,17,18)
InChIKeyFMVIHIFKAVFHLP-UHFFFAOYSA-N
XLogP1.60
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione
CID 64533566
1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-3-carboxylic acid
CID 79104478
2-[(5-methylindol-1-yl)methyl]-4-propan-2-ylmorpholine
CID 116622956
1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carbaldehyde
CID 66407258
2-[(4,6-dichloroindol-1-yl)methyl]-4-propan-2-ylmorpholine
CID 103428431
N-[1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 79108697
1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one
CID 79108030
2-[(5-methylpyrazol-1-yl)methyl]-4-propan-2-ylmorpholine
CID 64534558
4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 64533273
[1-[(4-propan-2-ylmorpholin-2-yl)methyl]indol-4-yl]methanamine
CID 64532953
1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 64532739
3-methyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 107673545

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carboxylic acid?
The IUPAC name of 3-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carboxylic acid (CID 102604816) is 3-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carboxylic acid is Cc1ccn(CC2CN(C(C)C)CCO2)c1C(=O)O.
What is the InChIKey of 3-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carboxylic acid?
The InChIKey is FMVIHIFKAVFHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(2)15-6-7-19-12(8-15)9-16-5-4-11(3)13(16)14(17)18/h4-5,10,12H,6-9H2,1-3H3,(H,17,18).
What are the key properties of 3-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carboxylic acid?
3-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 102604816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).