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

C12H19N3O3 — CID 61315296

IUPAC(3-amino-2-methyl-3-oxopropyl) 4-amino-1-propylpyrrole-2-carboxylate
SMILESCCCn1cc(N)cc1C(=O)OCC(C)C(N)=O
InChIInChI=1S/C12H19N3O3/c1-3-4-15-6-9(13)5-10(15)12(17)18-7-8(2)11(14)16/h5-6,8H,3-4,7,13H2,1-2H3,(H2,14,16)
InChIKeyPBVHZWIZOSESNP-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.76
Rot. Bonds6

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

(3-amino-2-methyl-3-oxopropyl) 4-amino-1-propylpyrrole-2-carboxylate (PubChem CID 61315296) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is (3-amino-2-methyl-3-oxopropyl) 4-amino-1-propylpyrrole-2-carboxylate.

Molecular Properties

Compound Name(3-amino-2-methyl-3-oxopropyl) 4-amino-1-propylpyrrole-2-carboxylate
PubChem CID61315296
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name(3-amino-2-methyl-3-oxopropyl) 4-amino-1-propylpyrrole-2-carboxylate
SMILESCCCn1cc(N)cc1C(=O)OCC(C)C(N)=O
InChIInChI=1S/C12H19N3O3/c1-3-4-15-6-9(13)5-10(15)12(17)18-7-8(2)11(14)16/h5-6,8H,3-4,7,13H2,1-2H3,(H2,14,16)
InChIKeyPBVHZWIZOSESNP-UHFFFAOYSA-N
XLogP0.76
TPSA100.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3-amino-2-methyl-3-oxopropyl) 4-amino-1-propylpyrrole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-amino-2-methyl-3-oxopropyl) 4-amino-1-methylpyrrole-2-carboxylate
CID 61323059
2-(4-amino-1-propylpyrrole-2-carbonyl)oxyacetic acid
CID 61316436
butyl 4-amino-1-propylpyrrole-2-carboxylate
CID 61310196
1-ethoxypropan-2-yl 4-amino-1-propylpyrrole-2-carboxylate
CID 103489505
2-methylpropyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 61309440
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 4-amino-1-propylpyrrole-2-carboxylate
CID 61488139
(4-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 61315483
(4-bromophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 61315860
[1-(butan-2-ylamino)-1-oxopropan-2-yl] 4-amino-1-propylpyrrole-2-carboxylate
CID 61314727
2-tert-butylsulfonylethyl 4-amino-1-propylpyrrole-2-carboxylate
CID 106728792
[2-(butylamino)-2-oxoethyl] 4-amino-1-propylpyrrole-2-carboxylate
CID 61485932
2-methylpropyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612702

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-methyl-3-oxopropyl) 4-amino-1-propylpyrrole-2-carboxylate?
The IUPAC name of (3-amino-2-methyl-3-oxopropyl) 4-amino-1-propylpyrrole-2-carboxylate (CID 61315296) is (3-amino-2-methyl-3-oxopropyl) 4-amino-1-propylpyrrole-2-carboxylate.
What is the SMILES notation for (3-amino-2-methyl-3-oxopropyl) 4-amino-1-propylpyrrole-2-carboxylate?
The canonical SMILES for (3-amino-2-methyl-3-oxopropyl) 4-amino-1-propylpyrrole-2-carboxylate is CCCn1cc(N)cc1C(=O)OCC(C)C(N)=O.
What is the InChIKey of (3-amino-2-methyl-3-oxopropyl) 4-amino-1-propylpyrrole-2-carboxylate?
The InChIKey is PBVHZWIZOSESNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-4-15-6-9(13)5-10(15)12(17)18-7-8(2)11(14)16/h5-6,8H,3-4,7,13H2,1-2H3,(H2,14,16).
What are the key properties of (3-amino-2-methyl-3-oxopropyl) 4-amino-1-propylpyrrole-2-carboxylate?
(3-amino-2-methyl-3-oxopropyl) 4-amino-1-propylpyrrole-2-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 0.76, 6 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-propylpyrrole-2-carboxylate is sourced from PubChem (CID 61315296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).