(3-amino-2-methyl-3-oxopropyl) 4-amino-1-methylpyrrole-2-carboxylate

C10H15N3O3 — CID 61323059

IUPAC(3-amino-2-methyl-3-oxopropyl) 4-amino-1-methylpyrrole-2-carboxylate
SMILESCC(COC(=O)c1cc(N)cn1C)C(N)=O
InChIInChI=1S/C10H15N3O3/c1-6(9(12)14)5-16-10(15)8-3-7(11)4-13(8)2/h3-4,6H,5,11H2,1-2H3,(H2,12,14)
InChIKeyBKXQGTVESCSMJE-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.11
Rot. Bonds4

About (3-amino-2-methyl-3-oxopropyl) 4-amino-1-methylpyrrole-2-carboxylate

(3-amino-2-methyl-3-oxopropyl) 4-amino-1-methylpyrrole-2-carboxylate (PubChem CID 61323059) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is (3-amino-2-methyl-3-oxopropyl) 4-amino-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Name(3-amino-2-methyl-3-oxopropyl) 4-amino-1-methylpyrrole-2-carboxylate
PubChem CID61323059
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name(3-amino-2-methyl-3-oxopropyl) 4-amino-1-methylpyrrole-2-carboxylate
SMILESCC(COC(=O)c1cc(N)cn1C)C(N)=O
InChIInChI=1S/C10H15N3O3/c1-6(9(12)14)5-16-10(15)8-3-7(11)4-13(8)2/h3-4,6H,5,11H2,1-2H3,(H2,12,14)
InChIKeyBKXQGTVESCSMJE-UHFFFAOYSA-N
XLogP-0.11
TPSA100.34 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 ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-amino-2-methyl-3-oxopropyl) 4-amino-1-methylpyrrole-2-carboxylate?
The IUPAC name of (3-amino-2-methyl-3-oxopropyl) 4-amino-1-methylpyrrole-2-carboxylate (CID 61323059) is (3-amino-2-methyl-3-oxopropyl) 4-amino-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for (3-amino-2-methyl-3-oxopropyl) 4-amino-1-methylpyrrole-2-carboxylate?
The canonical SMILES for (3-amino-2-methyl-3-oxopropyl) 4-amino-1-methylpyrrole-2-carboxylate is CC(COC(=O)c1cc(N)cn1C)C(N)=O.
What is the InChIKey of (3-amino-2-methyl-3-oxopropyl) 4-amino-1-methylpyrrole-2-carboxylate?
The InChIKey is BKXQGTVESCSMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-6(9(12)14)5-16-10(15)8-3-7(11)4-13(8)2/h3-4,6H,5,11H2,1-2H3,(H2,12,14).
What are the key properties of (3-amino-2-methyl-3-oxopropyl) 4-amino-1-methylpyrrole-2-carboxylate?
(3-amino-2-methyl-3-oxopropyl) 4-amino-1-methylpyrrole-2-carboxylate has a molecular weight of 225.25 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-methyl-3-oxopropyl) 4-amino-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 61323059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).