methyl 4-[2-(cyclopropylamino)propanoyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate

C16H24N2O3 — CID 42666620

IUPACmethyl 4-[2-(cyclopropylamino)propanoyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
SMILESCCn1c(C)c(C(=O)C(C)NC2CC2)c(C)c1C(=O)OC
InChIInChI=1S/C16H24N2O3/c1-6-18-11(4)13(9(2)14(18)16(20)21-5)15(19)10(3)17-12-7-8-12/h10,12,17H,6-8H2,1-5H3
InChIKeyYIOUMJRNGKVXOZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.23
Rot. Bonds6

About methyl 4-[2-(cyclopropylamino)propanoyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate

methyl 4-[2-(cyclopropylamino)propanoyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate (PubChem CID 42666620) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 4-[2-(cyclopropylamino)propanoyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(cyclopropylamino)propanoyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
PubChem CID42666620
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namemethyl 4-[2-(cyclopropylamino)propanoyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
SMILESCCn1c(C)c(C(=O)C(C)NC2CC2)c(C)c1C(=O)OC
InChIInChI=1S/C16H24N2O3/c1-6-18-11(4)13(9(2)14(18)16(20)21-5)15(19)10(3)17-12-7-8-12/h10,12,17H,6-8H2,1-5H3
InChIKeyYIOUMJRNGKVXOZ-UHFFFAOYSA-N
XLogP2.23
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-ethyl-3,5-dimethyl-4-[2-(oxolan-2-ylmethylamino)propanoyl]pyrrole-2-carboxylate
CID 42670525
methyl 4-[(2S)-2-[cyclopropyl(propanoyl)amino]propanoyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 93145476
methyl 1-ethyl-3,5-dimethyl-4-[2-(propan-2-ylamino)acetyl]pyrrole-2-carboxylate
CID 42666607
methyl 4-[2-[cyclobutanecarbonyl(prop-2-enyl)amino]propanoyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 42679506
methyl 4-[2-[cyclopropanecarbonyl(oxolan-2-ylmethyl)amino]propanoyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 42679469
methyl 1-ethyl-4-[2-(3-methoxyphenoxy)propanoyl]-3,5-dimethylpyrrole-2-carboxylate
CID 42851523
methyl 1-ethyl-3,5-dimethyl-4-[2-[propan-2-ylcarbamoyl(propyl)amino]propanoyl]pyrrole-2-carboxylate
CID 42679526
methyl 4-[2-[cyclohexyl-(4-methoxybenzoyl)amino]propanoyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 42679413
methyl 4-[(2S)-2-[cyclopropyl-(3-methoxybenzoyl)amino]propanoyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 93145489
methyl 4-[2-[benzenesulfonyl(2-methylpropyl)amino]propanoyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 42679530
methyl 4-[2-[cyclobutanecarbonyl(3-methylbutyl)amino]acetyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 42677867
methyl 4-[2-[cyclobutanecarbonyl(methyl)amino]acetyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 42677899

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(cyclopropylamino)propanoyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate?
The IUPAC name of methyl 4-[2-(cyclopropylamino)propanoyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate (CID 42666620) is methyl 4-[2-(cyclopropylamino)propanoyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[2-(cyclopropylamino)propanoyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[2-(cyclopropylamino)propanoyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate is CCn1c(C)c(C(=O)C(C)NC2CC2)c(C)c1C(=O)OC.
What is the InChIKey of methyl 4-[2-(cyclopropylamino)propanoyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate?
The InChIKey is YIOUMJRNGKVXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-6-18-11(4)13(9(2)14(18)16(20)21-5)15(19)10(3)17-12-7-8-12/h10,12,17H,6-8H2,1-5H3.
What are the key properties of methyl 4-[2-(cyclopropylamino)propanoyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate?
methyl 4-[2-(cyclopropylamino)propanoyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(cyclopropylamino)propanoyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate is sourced from PubChem (CID 42666620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).