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

C13H14N4O5 — CID 71195870

IUPAC4-[[4-(carboxyamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid
SMILESCn1cc(NC(=O)c2cc(NC(=O)O)cn2C)cc1C(=O)O
InChIInChI=1S/C13H14N4O5/c1-16-6-8(15-13(21)22)3-9(16)11(18)14-7-4-10(12(19)20)17(2)5-7/h3-6,15H,1-2H3,(H,14,18)(H,19,20)(H,21,22)
InChIKeyVUZISHMMGOKEHS-UHFFFAOYSA-N
MW306.28 g/mol
LogP1.40
Rot. Bonds4

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

4-[[4-(carboxyamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid (PubChem CID 71195870) has the molecular formula C13H14N4O5 and a molecular weight of 306.28 g/mol. Its IUPAC name is 4-[[4-(carboxyamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(carboxyamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid
PubChem CID71195870
Molecular FormulaC13H14N4O5
Molecular Weight306.28 g/mol
Exact Mass306.10
IUPAC Name4-[[4-(carboxyamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid
SMILESCn1cc(NC(=O)c2cc(NC(=O)O)cn2C)cc1C(=O)O
InChIInChI=1S/C13H14N4O5/c1-16-6-8(15-13(21)22)3-9(16)11(18)14-7-4-10(12(19)20)17(2)5-7/h3-6,15H,1-2H3,(H,14,18)(H,19,20)(H,21,22)
InChIKeyVUZISHMMGOKEHS-UHFFFAOYSA-N
XLogP1.40
TPSA125.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 51.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

[1-methyl-5-[[4-[1-methyl-5-(phenylcarbamoyl)pyrrol-3-yl]phenyl]carbamoyl]pyrrol-3-yl]carbamic acid
CID 135351177
1-methyl-4-[[1-methyl-4-(pyridine-2-carbonylamino)pyrrole-2-carbonyl]amino]pyrrole-2-carboxylic acid
CID 139332490
4-acetamido-1-methyl-N-[1-methyl-5-[[1-methyl-5-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyrrole-2-carboxamide
CID 162488190
methyl 1-methyl-4-[[1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylate;1-methyl-4-[[1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylic acid;hydrate
CID 157094570
N-(5-acetyl-1-methylpyrrol-3-yl)-1-methyl-4-(phosphanylamino)pyrrole-2-carboxamide
CID 23394637
methyl 4-[[4-[[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate
CID 147658735
4-acetamido-1-methyl-N-propan-2-ylpyrrole-2-carboxamide
CID 134450659
4-amino-N-[5-(2-aminoethylcarbamoyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide
CID 69176970
4-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]benzoic acid
CID 28740773
N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1,4-dimethylpyrrole-2-carboxamide
CID 59057978
1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylic acid
CID 170939117
3-[[4-[[4-[[C-hydroxy-N-[1-methyl-5-[[1-methyl-5-[(3-sulfophenyl)carbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]carbonimidoyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]benzenesulfonic acid
CID 136917321

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(carboxyamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid?
The IUPAC name of 4-[[4-(carboxyamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid (CID 71195870) is 4-[[4-(carboxyamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[[4-(carboxyamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-[[4-(carboxyamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid is Cn1cc(NC(=O)c2cc(NC(=O)O)cn2C)cc1C(=O)O.
What is the InChIKey of 4-[[4-(carboxyamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid?
The InChIKey is VUZISHMMGOKEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O5/c1-16-6-8(15-13(21)22)3-9(16)11(18)14-7-4-10(12(19)20)17(2)5-7/h3-6,15H,1-2H3,(H,14,18)(H,19,20)(H,21,22).
What are the key properties of 4-[[4-(carboxyamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid?
4-[[4-(carboxyamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid has a molecular weight of 306.28 g/mol, XLogP of 1.40, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(carboxyamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 71195870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).