4-[[4-(methoxycarbonylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid

C14H16N4O5 — CID 23541315

IUPAC4-[[4-(methoxycarbonylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid
SMILESCOC(=O)Nc1cc(C(=O)Nc2cc(C(=O)O)n(C)c2)n(C)c1
InChIInChI=1S/C14H16N4O5/c1-17-7-9(16-14(22)23-3)4-10(17)12(19)15-8-5-11(13(20)21)18(2)6-8/h4-7H,1-3H3,(H,15,19)(H,16,22)(H,20,21)
InChIKeyINEMPZFWBWKSOQ-UHFFFAOYSA-N
MW320.31 g/mol
LogP1.49
Rot. Bonds4

About 4-[[4-(methoxycarbonylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid

4-[[4-(methoxycarbonylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid (PubChem CID 23541315) has the molecular formula C14H16N4O5 and a molecular weight of 320.31 g/mol. Its IUPAC name is 4-[[4-(methoxycarbonylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(methoxycarbonylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid
PubChem CID23541315
Molecular FormulaC14H16N4O5
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC Name4-[[4-(methoxycarbonylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid
SMILESCOC(=O)Nc1cc(C(=O)Nc2cc(C(=O)O)n(C)c2)n(C)c1
InChIInChI=1S/C14H16N4O5/c1-17-7-9(16-14(22)23-3)4-10(17)12(19)15-8-5-11(13(20)21)18(2)6-8/h4-7H,1-3H3,(H,15,19)(H,16,22)(H,20,21)
InChIKeyINEMPZFWBWKSOQ-UHFFFAOYSA-N
XLogP1.49
TPSA114.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[4-(methoxycarbonylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(methoxycarbonylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid?
The IUPAC name of 4-[[4-(methoxycarbonylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid (CID 23541315) is 4-[[4-(methoxycarbonylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[[4-(methoxycarbonylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-[[4-(methoxycarbonylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid is COC(=O)Nc1cc(C(=O)Nc2cc(C(=O)O)n(C)c2)n(C)c1.
What is the InChIKey of 4-[[4-(methoxycarbonylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid?
The InChIKey is INEMPZFWBWKSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O5/c1-17-7-9(16-14(22)23-3)4-10(17)12(19)15-8-5-11(13(20)21)18(2)6-8/h4-7H,1-3H3,(H,15,19)(H,16,22)(H,20,21).
What are the key properties of 4-[[4-(methoxycarbonylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid?
4-[[4-(methoxycarbonylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid has a molecular weight of 320.31 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(methoxycarbonylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 23541315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).