4-amino-N-(2-amino-2-oxoethyl)-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide

C12H20N4O2 — CID 61110497

IUPAC4-amino-N-(2-amino-2-oxoethyl)-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide
SMILESCC(C)CN(CC(N)=O)C(=O)c1cc(N)cn1C
InChIInChI=1S/C12H20N4O2/c1-8(2)5-16(7-11(14)17)12(18)10-4-9(13)6-15(10)3/h4,6,8H,5,7,13H2,1-3H3,(H2,14,17)
InChIKeyODNKQOLVUAEISO-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.19
Rot. Bonds5

About 4-amino-N-(2-amino-2-oxoethyl)-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide

4-amino-N-(2-amino-2-oxoethyl)-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide (PubChem CID 61110497) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-amino-N-(2-amino-2-oxoethyl)-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-amino-2-oxoethyl)-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide
PubChem CID61110497
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-amino-N-(2-amino-2-oxoethyl)-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide
SMILESCC(C)CN(CC(N)=O)C(=O)c1cc(N)cn1C
InChIInChI=1S/C12H20N4O2/c1-8(2)5-16(7-11(14)17)12(18)10-4-9(13)6-15(10)3/h4,6,8H,5,7,13H2,1-3H3,(H2,14,17)
InChIKeyODNKQOLVUAEISO-UHFFFAOYSA-N
XLogP0.19
TPSA94.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[2-(diethylamino)ethyl]-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide
CID 61105477
4-amino-N-(2-cyanoethyl)-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide
CID 61113965
2-[(4-acetyl-1-methylpyrrole-2-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 62032815
4-amino-N,N-dibutyl-1-methylpyrrole-2-carboxamide
CID 43643260
4-amino-1-methyl-N,N-dipentylpyrrole-2-carboxamide
CID 61108331
4-amino-N-(2-hydroxyethyl)-1-methyl-N-propylpyrrole-2-carboxamide
CID 61105245
4-amino-N-(2-amino-2-oxoethyl)-5-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 61109174
N-(2-amino-2-oxoethyl)-4,5-dibromo-N-(2-methylpropyl)thiophene-2-carboxamide
CID 78991790
4-bromo-N-ethyl-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide
CID 43432093
2-amino-N-(2-amino-2-oxoethyl)-5-fluoro-N-(2-methylpropyl)benzamide
CID 60962629
ethyl 2-[(4-amino-1-methylpyrrole-2-carbonyl)-propylamino]acetate
CID 55003688
5-amino-N-(2-amino-2-oxoethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 61108035

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide (CID 61110497) is 4-amino-N-(2-amino-2-oxoethyl)-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-amino-2-oxoethyl)-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-amino-2-oxoethyl)-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide is CC(C)CN(CC(N)=O)C(=O)c1cc(N)cn1C.
What is the InChIKey of 4-amino-N-(2-amino-2-oxoethyl)-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide?
The InChIKey is ODNKQOLVUAEISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8(2)5-16(7-11(14)17)12(18)10-4-9(13)6-15(10)3/h4,6,8H,5,7,13H2,1-3H3,(H2,14,17).
What are the key properties of 4-amino-N-(2-amino-2-oxoethyl)-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide?
4-amino-N-(2-amino-2-oxoethyl)-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-amino-2-oxoethyl)-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide is sourced from PubChem (CID 61110497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).