4-[[4-(1H-indole-2-carbonylamino)-1-methylpyrrole-2-carbonyl]amino]butanoic acid

C19H20N4O4 — CID 11257155

IUPAC4-[[4-(1H-indole-2-carbonylamino)-1-methylpyrrole-2-carbonyl]amino]butanoic acid
SMILESCn1cc(NC(=O)c2cc3ccccc3[nH]2)cc1C(=O)NCCCC(=O)O
InChIInChI=1S/C19H20N4O4/c1-23-11-13(10-16(23)19(27)20-8-4-7-17(24)25)21-18(26)15-9-12-5-2-3-6-14(12)22-15/h2-3,5-6,9-11,22H,4,7-8H2,1H3,(H,20,27)(H,21,26)(H,24,25)
InChIKeyAHKSKDYCIOWXAL-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.35
Rot. Bonds7

About 4-[[4-(1H-indole-2-carbonylamino)-1-methylpyrrole-2-carbonyl]amino]butanoic acid

4-[[4-(1H-indole-2-carbonylamino)-1-methylpyrrole-2-carbonyl]amino]butanoic acid (PubChem CID 11257155) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 4-[[4-(1H-indole-2-carbonylamino)-1-methylpyrrole-2-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[4-(1H-indole-2-carbonylamino)-1-methylpyrrole-2-carbonyl]amino]butanoic acid
PubChem CID11257155
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name4-[[4-(1H-indole-2-carbonylamino)-1-methylpyrrole-2-carbonyl]amino]butanoic acid
SMILESCn1cc(NC(=O)c2cc3ccccc3[nH]2)cc1C(=O)NCCCC(=O)O
InChIInChI=1S/C19H20N4O4/c1-23-11-13(10-16(23)19(27)20-8-4-7-17(24)25)21-18(26)15-9-12-5-2-3-6-14(12)22-15/h2-3,5-6,9-11,22H,4,7-8H2,1H3,(H,20,27)(H,21,26)(H,24,25)
InChIKeyAHKSKDYCIOWXAL-UHFFFAOYSA-N
XLogP2.35
TPSA116.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[4-(1H-indole-2-carbonylamino)-1-methylpyrrole-2-carbonyl]amino]butanoic acid with MolForge

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Related Compounds

N-[1-methyl-5-[[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-1H-indole-2-carboxamide
CID 10952359
N-(3-pyrrol-1-ylpropyl)-1H-indole-2-carboxamide
CID 90500503
methyl 3-[[4-(1H-indole-2-carbonylamino)benzoyl]amino]propanoate
CID 86917311
N-(6-hydroxyhexyl)-1H-indole-2-carboxamide
CID 11492630
methyl 6-(1H-indole-2-carbonylamino)hexanoate
CID 43407298
N-[5-[[5-[[5-[(3-amino-3-hydroxyiminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-5-[bis(2-chloroethyl)amino]-1H-indole-2-carboxamide
CID 87952686
4-acetamido-N-[5-[[3-[[2-[[2-[[5-[[2-[[4-[[5-[[2-[[3-[[5-[[5-[[2-[1-(chloromethyl)-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-3-oxopropyl]carbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-4-oxobutyl]carbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]amino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide
CID 177415398
4-[(4-carbamoyl-1-methylpyrrole-2-carbonyl)amino]butanoic acid
CID 119352577
N-[3-(2-methoxyethoxy)propyl]-1H-indole-2-carboxamide
CID 51979700
3-[[4-[[4-[[4-[[4-[4-[[4-[[4-[[4-[(4-acetamido-1-methylimidazole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]propanoic acid
CID 149390856
N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 115627991
N-[4-(2-methoxyethoxy)butyl]-1H-indole-2-carboxamide
CID 115599717

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1H-indole-2-carbonylamino)-1-methylpyrrole-2-carbonyl]amino]butanoic acid?
The IUPAC name of 4-[[4-(1H-indole-2-carbonylamino)-1-methylpyrrole-2-carbonyl]amino]butanoic acid (CID 11257155) is 4-[[4-(1H-indole-2-carbonylamino)-1-methylpyrrole-2-carbonyl]amino]butanoic acid.
What is the SMILES notation for 4-[[4-(1H-indole-2-carbonylamino)-1-methylpyrrole-2-carbonyl]amino]butanoic acid?
The canonical SMILES for 4-[[4-(1H-indole-2-carbonylamino)-1-methylpyrrole-2-carbonyl]amino]butanoic acid is Cn1cc(NC(=O)c2cc3ccccc3[nH]2)cc1C(=O)NCCCC(=O)O.
What is the InChIKey of 4-[[4-(1H-indole-2-carbonylamino)-1-methylpyrrole-2-carbonyl]amino]butanoic acid?
The InChIKey is AHKSKDYCIOWXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-23-11-13(10-16(23)19(27)20-8-4-7-17(24)25)21-18(26)15-9-12-5-2-3-6-14(12)22-15/h2-3,5-6,9-11,22H,4,7-8H2,1H3,(H,20,27)(H,21,26)(H,24,25).
What are the key properties of 4-[[4-(1H-indole-2-carbonylamino)-1-methylpyrrole-2-carbonyl]amino]butanoic acid?
4-[[4-(1H-indole-2-carbonylamino)-1-methylpyrrole-2-carbonyl]amino]butanoic acid has a molecular weight of 368.39 g/mol, XLogP of 2.35, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1H-indole-2-carbonylamino)-1-methylpyrrole-2-carbonyl]amino]butanoic acid is sourced from PubChem (CID 11257155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).