3-(2-aminoethyl)-1H-indole-5-carboxamide;(Z)-but-2-enedioic acid

C15H17N3O5 — CID 11709509

IUPAC3-(2-aminoethyl)-1H-indole-5-carboxamide;(Z)-but-2-enedioic acid
SMILESNCCc1c[nH]c2ccc(C(N)=O)cc12.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C11H13N3O.C4H4O4/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10;5-3(6)1-2-4(7)8/h1-2,5-6,14H,3-4,12H2,(H2,13,15);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyPZQZSWAOVAMBQM-BTJKTKAUSA-N
MW319.32 g/mol
LogP0.48
Rot. Bonds5

About 3-(2-aminoethyl)-1H-indole-5-carboxamide;(Z)-but-2-enedioic acid

3-(2-aminoethyl)-1H-indole-5-carboxamide;(Z)-but-2-enedioic acid (PubChem CID 11709509) has the molecular formula C15H17N3O5 and a molecular weight of 319.32 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1H-indole-5-carboxamide;(Z)-but-2-enedioic acid.

Molecular Properties

Compound Name3-(2-aminoethyl)-1H-indole-5-carboxamide;(Z)-but-2-enedioic acid
PubChem CID11709509
Molecular FormulaC15H17N3O5
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC Name3-(2-aminoethyl)-1H-indole-5-carboxamide;(Z)-but-2-enedioic acid
SMILESNCCc1c[nH]c2ccc(C(N)=O)cc12.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C11H13N3O.C4H4O4/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10;5-3(6)1-2-4(7)8/h1-2,5-6,14H,3-4,12H2,(H2,13,15);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyPZQZSWAOVAMBQM-BTJKTKAUSA-N
XLogP0.48
TPSA159.50 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 50.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis(3-(2-aminoethyl)-1H-indole-5-carboxamide);bis((Z)-but-2-enedioic acid);ethanol
CID 71308727
3-(2-aminoethyl)-1H-indole-5-carboxamide;(E)-but-2-enedioic acid;ethanol
CID 166640054
1-[3-(2-aminoethyl)-1H-indol-5-yl]-2,2,2-trifluoroethanone
CID 82380642
3-(2-aminoethyl)-N'-hydroxy-1H-indole-5-carboximidamide
CID 88521979
3-(2-amino-1,1,2,2-tetratritioethyl)-1H-indole-5-carboxamide
CID 53324620
3-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide
CID 20806603
acetic acid;2-(1H-indol-3-yl)ethanamine
CID 57357905
oxalic acid;2-(5-propan-2-yl-1H-indol-3-yl)ethanamine
CID 21071579
4-[[4-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylbenzamide;but-2-enedioic acid
CID 70382763
3-(3-hydroxypropyl)-1H-indole-5-carboxylic acid
CID 19921669
3-(2-aminoethyl)-1H-indol-5-ol;sulfamide
CID 67549652
2-(5-chloro-1H-indol-3-yl)ethanamine chloride
CID 43829444

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1H-indole-5-carboxamide;(Z)-but-2-enedioic acid?
The IUPAC name of 3-(2-aminoethyl)-1H-indole-5-carboxamide;(Z)-but-2-enedioic acid (CID 11709509) is 3-(2-aminoethyl)-1H-indole-5-carboxamide;(Z)-but-2-enedioic acid.
What is the SMILES notation for 3-(2-aminoethyl)-1H-indole-5-carboxamide;(Z)-but-2-enedioic acid?
The canonical SMILES for 3-(2-aminoethyl)-1H-indole-5-carboxamide;(Z)-but-2-enedioic acid is NCCc1c[nH]c2ccc(C(N)=O)cc12.O=C(O)/C=C\C(=O)O.
What is the InChIKey of 3-(2-aminoethyl)-1H-indole-5-carboxamide;(Z)-but-2-enedioic acid?
The InChIKey is PZQZSWAOVAMBQM-BTJKTKAUSA-N. The full InChI is InChI=1S/C11H13N3O.C4H4O4/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10;5-3(6)1-2-4(7)8/h1-2,5-6,14H,3-4,12H2,(H2,13,15);1-2H,(H,5,6)(H,7,8)/b;2-1-.
What are the key properties of 3-(2-aminoethyl)-1H-indole-5-carboxamide;(Z)-but-2-enedioic acid?
3-(2-aminoethyl)-1H-indole-5-carboxamide;(Z)-but-2-enedioic acid has a molecular weight of 319.32 g/mol, XLogP of 0.48, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1H-indole-5-carboxamide;(Z)-but-2-enedioic acid is sourced from PubChem (CID 11709509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).