2-(carbamoylamino)-4,5-dimethyl-1H-pyrrole-3-carboxylic acid

C8H11N3O3 — CID 112713055

IUPAC2-(carbamoylamino)-4,5-dimethyl-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]c(NC(N)=O)c(C(=O)O)c1C
InChIInChI=1S/C8H11N3O3/c1-3-4(2)10-6(11-8(9)14)5(3)7(12)13/h10H,1-2H3,(H,12,13)(H3,9,11,14)
InChIKeyVUTWGMCOCQJRBR-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.82
Rot. Bonds2

About 2-(carbamoylamino)-4,5-dimethyl-1H-pyrrole-3-carboxylic acid

2-(carbamoylamino)-4,5-dimethyl-1H-pyrrole-3-carboxylic acid (PubChem CID 112713055) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-(carbamoylamino)-4,5-dimethyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-(carbamoylamino)-4,5-dimethyl-1H-pyrrole-3-carboxylic acid
PubChem CID112713055
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-(carbamoylamino)-4,5-dimethyl-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]c(NC(N)=O)c(C(=O)O)c1C
InChIInChI=1S/C8H11N3O3/c1-3-4(2)10-6(11-8(9)14)5(3)7(12)13/h10H,1-2H3,(H,12,13)(H3,9,11,14)
InChIKeyVUTWGMCOCQJRBR-UHFFFAOYSA-N
XLogP0.82
TPSA108.21 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-4,5-dimethyl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 2-(carbamoylamino)-4,5-dimethyl-1H-pyrrole-3-carboxylic acid (CID 112713055) is 2-(carbamoylamino)-4,5-dimethyl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-(carbamoylamino)-4,5-dimethyl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 2-(carbamoylamino)-4,5-dimethyl-1H-pyrrole-3-carboxylic acid is Cc1[nH]c(NC(N)=O)c(C(=O)O)c1C.
What is the InChIKey of 2-(carbamoylamino)-4,5-dimethyl-1H-pyrrole-3-carboxylic acid?
The InChIKey is VUTWGMCOCQJRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-3-4(2)10-6(11-8(9)14)5(3)7(12)13/h10H,1-2H3,(H,12,13)(H3,9,11,14).
What are the key properties of 2-(carbamoylamino)-4,5-dimethyl-1H-pyrrole-3-carboxylic acid?
2-(carbamoylamino)-4,5-dimethyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 197.19 g/mol, XLogP of 0.82, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-4,5-dimethyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 112713055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).