methyl 3-[(4-amino-1-methylpyrrole-2-carbonyl)amino]propanoate

C10H15N3O3 — CID 43665875

IUPACmethyl 3-[(4-amino-1-methylpyrrole-2-carbonyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1cc(N)cn1C
InChIInChI=1S/C10H15N3O3/c1-13-6-7(11)5-8(13)10(15)12-4-3-9(14)16-2/h5-6H,3-4,11H2,1-2H3,(H,12,15)
InChIKeyICIUCBCPQLWYPJ-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.10
Rot. Bonds4

About methyl 3-[(4-amino-1-methylpyrrole-2-carbonyl)amino]propanoate

methyl 3-[(4-amino-1-methylpyrrole-2-carbonyl)amino]propanoate (PubChem CID 43665875) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is methyl 3-[(4-amino-1-methylpyrrole-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-amino-1-methylpyrrole-2-carbonyl)amino]propanoate
PubChem CID43665875
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Namemethyl 3-[(4-amino-1-methylpyrrole-2-carbonyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1cc(N)cn1C
InChIInChI=1S/C10H15N3O3/c1-13-6-7(11)5-8(13)10(15)12-4-3-9(14)16-2/h5-6H,3-4,11H2,1-2H3,(H,12,15)
InChIKeyICIUCBCPQLWYPJ-UHFFFAOYSA-N
XLogP-0.10
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
CID 43641937
methyl 3-[[5-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-benzothiophene-2-carbonyl]amino]propanoate
CID 142617303
4-amino-1-methyl-N-octylpyrrole-2-carboxamide
CID 115565894
4-amino-1-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrrole-2-carboxamide
CID 62636568
4-amino-N-[2-(diaminomethylideneamino)ethyl]-1-methylpyrrole-2-carboxamide
CID 85397824
4-amino-N-(4-hydroxypentyl)-1-methylpyrrole-2-carboxamide
CID 106118881
4-amino-1-methyl-N-(4-propan-2-yloxybutyl)pyrrole-2-carboxamide
CID 106006234
4-amino-N-(2,2-dichloroethyl)-1-methylpyrrole-2-carboxamide
CID 130551753
4-amino-1-methyl-N-[2-[(1-methyldiaziridin-3-yl)amino]ethyl]pyrrole-2-carboxamide
CID 70121205
4-amino-N-[5-(2-aminoethylcarbamoyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide
CID 69176970
4-amino-1-methyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide
CID 62379112
4-amino-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide
CID 114614945

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-amino-1-methylpyrrole-2-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[(4-amino-1-methylpyrrole-2-carbonyl)amino]propanoate (CID 43665875) is methyl 3-[(4-amino-1-methylpyrrole-2-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(4-amino-1-methylpyrrole-2-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[(4-amino-1-methylpyrrole-2-carbonyl)amino]propanoate is COC(=O)CCNC(=O)c1cc(N)cn1C.
What is the InChIKey of methyl 3-[(4-amino-1-methylpyrrole-2-carbonyl)amino]propanoate?
The InChIKey is ICIUCBCPQLWYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-13-6-7(11)5-8(13)10(15)12-4-3-9(14)16-2/h5-6H,3-4,11H2,1-2H3,(H,12,15).
What are the key properties of methyl 3-[(4-amino-1-methylpyrrole-2-carbonyl)amino]propanoate?
methyl 3-[(4-amino-1-methylpyrrole-2-carbonyl)amino]propanoate has a molecular weight of 225.25 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-amino-1-methylpyrrole-2-carbonyl)amino]propanoate is sourced from PubChem (CID 43665875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).