methyl 4-amino-1-[3-(cyclopropylamino)-3-oxopropyl]pyrrole-2-carboxylate

C12H17N3O3 — CID 62625958

IUPACmethyl 4-amino-1-[3-(cyclopropylamino)-3-oxopropyl]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(N)cn1CCC(=O)NC1CC1
InChIInChI=1S/C12H17N3O3/c1-18-12(17)10-6-8(13)7-15(10)5-4-11(16)14-9-2-3-9/h6-7,9H,2-5,13H2,1H3,(H,14,16)
InChIKeyFGMUXYKVTYMXMG-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.53
Rot. Bonds5

About methyl 4-amino-1-[3-(cyclopropylamino)-3-oxopropyl]pyrrole-2-carboxylate

methyl 4-amino-1-[3-(cyclopropylamino)-3-oxopropyl]pyrrole-2-carboxylate (PubChem CID 62625958) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is methyl 4-amino-1-[3-(cyclopropylamino)-3-oxopropyl]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1-[3-(cyclopropylamino)-3-oxopropyl]pyrrole-2-carboxylate
PubChem CID62625958
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Namemethyl 4-amino-1-[3-(cyclopropylamino)-3-oxopropyl]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(N)cn1CCC(=O)NC1CC1
InChIInChI=1S/C12H17N3O3/c1-18-12(17)10-6-8(13)7-15(10)5-4-11(16)14-9-2-3-9/h6-7,9H,2-5,13H2,1H3,(H,14,16)
InChIKeyFGMUXYKVTYMXMG-UHFFFAOYSA-N
XLogP0.53
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-amino-1-(2-propan-2-yloxyethyl)pyrrole-2-carboxylate
CID 61484775
[3-(cyclopropylamino)-3-oxopropyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 62627964
methyl 4-amino-1-(2-butoxyethyl)pyrrole-2-carboxylate
CID 54956397
4-amino-N-(4-hydroxycyclohexyl)-1-propylpyrrole-2-carboxamide
CID 43642114
ethyl 5-amino-1-[3-(cyclopropylamino)-3-oxopropyl]imidazole-4-carboxylate
CID 79401168
methyl 4-amino-1-(oxolan-2-ylmethyl)pyrrole-2-carboxylate
CID 61293123
N-cyclopropyl-3-(5-methoxyindol-1-yl)propanamide
CID 116619419
3-[2-(4-aminophenyl)imidazol-1-yl]-N-cyclopropylpropanamide
CID 62625785
methyl 5-amino-2-[[3-(cyclopropylamino)-3-oxopropyl]amino]benzoate
CID 79395347
4-amino-N-(1-cyclohexylethyl)-1-propylpyrrole-2-carboxamide
CID 62403049
3-[4-(4-aminophenyl)pyrazol-1-yl]-N-cyclopropylpropanamide
CID 63327873
4-amino-1-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 43642107

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-[3-(cyclopropylamino)-3-oxopropyl]pyrrole-2-carboxylate?
The IUPAC name of methyl 4-amino-1-[3-(cyclopropylamino)-3-oxopropyl]pyrrole-2-carboxylate (CID 62625958) is methyl 4-amino-1-[3-(cyclopropylamino)-3-oxopropyl]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-amino-1-[3-(cyclopropylamino)-3-oxopropyl]pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-amino-1-[3-(cyclopropylamino)-3-oxopropyl]pyrrole-2-carboxylate is COC(=O)c1cc(N)cn1CCC(=O)NC1CC1.
What is the InChIKey of methyl 4-amino-1-[3-(cyclopropylamino)-3-oxopropyl]pyrrole-2-carboxylate?
The InChIKey is FGMUXYKVTYMXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-18-12(17)10-6-8(13)7-15(10)5-4-11(16)14-9-2-3-9/h6-7,9H,2-5,13H2,1H3,(H,14,16).
What are the key properties of methyl 4-amino-1-[3-(cyclopropylamino)-3-oxopropyl]pyrrole-2-carboxylate?
methyl 4-amino-1-[3-(cyclopropylamino)-3-oxopropyl]pyrrole-2-carboxylate has a molecular weight of 251.29 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-[3-(cyclopropylamino)-3-oxopropyl]pyrrole-2-carboxylate is sourced from PubChem (CID 62625958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).