N-(2-amino-2-oxoethoxy)-1-methylpyrrole-2-carboxamide

C8H11N3O3 — CID 112550883

IUPACN-(2-amino-2-oxoethoxy)-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NOCC(N)=O
InChIInChI=1S/C8H11N3O3/c1-11-4-2-3-6(11)8(13)10-14-5-7(9)12/h2-4H,5H2,1H3,(H2,9,12)(H,10,13)
InChIKeyRYVJOLZHCSQXDM-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.83
Rot. Bonds4

About N-(2-amino-2-oxoethoxy)-1-methylpyrrole-2-carboxamide

N-(2-amino-2-oxoethoxy)-1-methylpyrrole-2-carboxamide (PubChem CID 112550883) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)-1-methylpyrrole-2-carboxamide
PubChem CID112550883
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC NameN-(2-amino-2-oxoethoxy)-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NOCC(N)=O
InChIInChI=1S/C8H11N3O3/c1-11-4-2-3-6(11)8(13)10-14-5-7(9)12/h2-4H,5H2,1H3,(H2,9,12)(H,10,13)
InChIKeyRYVJOLZHCSQXDM-UHFFFAOYSA-N
XLogP-0.83
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-amino-2-oxoethoxy)-1-methylpyrrole-2-carboxamide 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

[2-(carbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 5024305
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate
CID 11909138
3-(1-methylpyrrole-2-carbonyl)oxypropyl 1-methylpyrrole-2-carboxylate
CID 55400779
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854029
1-methylpyrrole-2-carboxamide;hydrochloride
CID 21428931
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 4-iodobenzoate
CID 2642847
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-benzamidoacetate
CID 7889613
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 2647311
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 2642944
ethane;1-methyl-N-propylpyrrole-2-carboxamide
CID 143101069
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3,4-dichlorobenzoate
CID 2642856
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 2647715

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethoxy)-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)-1-methylpyrrole-2-carboxamide (CID 112550883) is N-(2-amino-2-oxoethoxy)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)NOCC(N)=O.
What is the InChIKey of N-(2-amino-2-oxoethoxy)-1-methylpyrrole-2-carboxamide?
The InChIKey is RYVJOLZHCSQXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-11-4-2-3-6(11)8(13)10-14-5-7(9)12/h2-4H,5H2,1H3,(H2,9,12)(H,10,13).
What are the key properties of N-(2-amino-2-oxoethoxy)-1-methylpyrrole-2-carboxamide?
N-(2-amino-2-oxoethoxy)-1-methylpyrrole-2-carboxamide has a molecular weight of 197.19 g/mol, XLogP of -0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethoxy)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 112550883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).