ethyl 3-(carbamoylamino)-1H-pyrrole-2-carboxylate

C8H11N3O3 — CID 55266586

IUPACethyl 3-(carbamoylamino)-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]ccc1NC(N)=O
InChIInChI=1S/C8H11N3O3/c1-2-14-7(12)6-5(3-4-10-6)11-8(9)13/h3-4,10H,2H2,1H3,(H3,9,11,13)
InChIKeyNHGFTGKSZXSNNW-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.68
Rot. Bonds3

About ethyl 3-(carbamoylamino)-1H-pyrrole-2-carboxylate

ethyl 3-(carbamoylamino)-1H-pyrrole-2-carboxylate (PubChem CID 55266586) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is ethyl 3-(carbamoylamino)-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(carbamoylamino)-1H-pyrrole-2-carboxylate
PubChem CID55266586
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Nameethyl 3-(carbamoylamino)-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]ccc1NC(N)=O
InChIInChI=1S/C8H11N3O3/c1-2-14-7(12)6-5(3-4-10-6)11-8(9)13/h3-4,10H,2H2,1H3,(H3,9,11,13)
InChIKeyNHGFTGKSZXSNNW-UHFFFAOYSA-N
XLogP0.68
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze ethyl 3-(carbamoylamino)-1H-pyrrole-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

ethyl 3-[[2-(4-fluorophenyl)acetyl]amino]-1H-pyrrole-2-carboxylate
CID 67052946
ethyl 3-[(2-methoxy-2-methylpropyl)amino]-1H-pyrrole-2-carboxylate
CID 67068506
ethyl 3-[(2-bromophenyl)methylamino]-1H-pyrrole-2-carboxylate
CID 169089668
ethyl 3-phenyl-1H-pyrrole-2-carboxylate
CID 11790592
ethyl 3-(3-chloroanilino)-1H-pyrrole-2-carboxylate
CID 67068489
ethyl 3-nitroso-1H-pyrrole-2-carboxylate
CID 148773975
ethyl 3-[(2,4-dimethoxyphenyl)methylamino]-1H-pyrrole-2-carboxylate
CID 67068490
ethyl 3-[2-[1-(trifluoromethyl)cyclobutyl]oxyethylamino]-1H-pyrrole-2-carboxylate
CID 166517032
ethyl 3-cyano-4-oxo-1H-pyridine-2-carboxylate
CID 131027939
ethyl 3-(3,4-dimethylphenyl)-1H-pyrrole-2-carboxylate
CID 79324734
ethyl 3-[[4-(1-prop-2-enoylpyrrolidin-2-yl)benzoyl]amino]-1H-pyrrole-2-carboxylate
CID 166422294
ethane;ethyl 2-methyl-1H-pyrrole-3-carboxylate
CID 145287449

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(carbamoylamino)-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 3-(carbamoylamino)-1H-pyrrole-2-carboxylate (CID 55266586) is ethyl 3-(carbamoylamino)-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 3-(carbamoylamino)-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 3-(carbamoylamino)-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]ccc1NC(N)=O.
What is the InChIKey of ethyl 3-(carbamoylamino)-1H-pyrrole-2-carboxylate?
The InChIKey is NHGFTGKSZXSNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-2-14-7(12)6-5(3-4-10-6)11-8(9)13/h3-4,10H,2H2,1H3,(H3,9,11,13).
What are the key properties of ethyl 3-(carbamoylamino)-1H-pyrrole-2-carboxylate?
ethyl 3-(carbamoylamino)-1H-pyrrole-2-carboxylate has a molecular weight of 197.19 g/mol, XLogP of 0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(carbamoylamino)-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 55266586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).