[2-(cyclopropylamino)-2-oxoethyl] 4-acetyl-1-methylpyrrole-2-carboxylate

C13H16N2O4 — CID 27188579

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 4-acetyl-1-methylpyrrole-2-carboxylate
SMILESCC(=O)c1cc(C(=O)OCC(=O)NC2CC2)n(C)c1
InChIInChI=1S/C13H16N2O4/c1-8(16)9-5-11(15(2)6-9)13(18)19-7-12(17)14-10-3-4-10/h5-6,10H,3-4,7H2,1-2H3,(H,14,17)
InChIKeyRDOXLRDWWPDOPL-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.66
Rot. Bonds5

About [2-(cyclopropylamino)-2-oxoethyl] 4-acetyl-1-methylpyrrole-2-carboxylate

[2-(cyclopropylamino)-2-oxoethyl] 4-acetyl-1-methylpyrrole-2-carboxylate (PubChem CID 27188579) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 4-acetyl-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 4-acetyl-1-methylpyrrole-2-carboxylate
PubChem CID27188579
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 4-acetyl-1-methylpyrrole-2-carboxylate
SMILESCC(=O)c1cc(C(=O)OCC(=O)NC2CC2)n(C)c1
InChIInChI=1S/C13H16N2O4/c1-8(16)9-5-11(15(2)6-9)13(18)19-7-12(17)14-10-3-4-10/h5-6,10H,3-4,7H2,1-2H3,(H,14,17)
InChIKeyRDOXLRDWWPDOPL-UHFFFAOYSA-N
XLogP0.66
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(cyclohexylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 3977392
N-cyclopropyl-4-iodo-1-methylpyrrole-2-carboxamide
CID 168679995
cis-methyl (1S,2R)-2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]cycloheptane-1-carboxylate
CID 99599427
[2-(cyclopropylamino)-2-oxoethyl] 3-amino-5-fluoro-4-methylbenzoate
CID 61316994
[2-(cyclopropylamino)-2-oxoethyl] 2-methoxybenzoate
CID 2715031
[2-(cyclopropylamino)-2-oxoethyl] 3-methylsulfonylbenzoate
CID 2528872
2-(4-acetyl-2-methylphenoxy)-N-cyclopropylacetamide
CID 113231478
[2-(cyclopropylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2365821
[2-(cyclooctylamino)-2-oxoethyl] 1-methylindole-3-carboxylate
CID 27571304
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 7042976
[2-(cyclopropylamino)-2-oxoethyl] 3-amino-4-ethoxybenzoate
CID 61320899
[2-(cyclopropylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2570348

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 4-acetyl-1-methylpyrrole-2-carboxylate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 4-acetyl-1-methylpyrrole-2-carboxylate (CID 27188579) is [2-(cyclopropylamino)-2-oxoethyl] 4-acetyl-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 4-acetyl-1-methylpyrrole-2-carboxylate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 4-acetyl-1-methylpyrrole-2-carboxylate is CC(=O)c1cc(C(=O)OCC(=O)NC2CC2)n(C)c1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 4-acetyl-1-methylpyrrole-2-carboxylate?
The InChIKey is RDOXLRDWWPDOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-8(16)9-5-11(15(2)6-9)13(18)19-7-12(17)14-10-3-4-10/h5-6,10H,3-4,7H2,1-2H3,(H,14,17).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 4-acetyl-1-methylpyrrole-2-carboxylate?
[2-(cyclopropylamino)-2-oxoethyl] 4-acetyl-1-methylpyrrole-2-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 4-acetyl-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 27188579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).