(E)-but-2-enedioic acid;1-(5-methoxy-2H-indazol-3-yl)propan-2-amine

C15H19N3O5 — CID 70287691

IUPAC(E)-but-2-enedioic acid;1-(5-methoxy-2H-indazol-3-yl)propan-2-amine
SMILESCOc1ccc2n[nH]c(CC(C)N)c2c1.O=C(O)/C=C/C(=O)O
InChIInChI=1S/C11H15N3O.C4H4O4/c1-7(12)5-11-9-6-8(15-2)3-4-10(9)13-14-11;5-3(6)1-2-4(7)8/h3-4,6-7H,5,12H2,1-2H3,(H,13,14);1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKeyKYKGWTVROZYKCO-WLHGVMLRSA-N
MW321.33 g/mol
LogP1.17
Rot. Bonds5

About (E)-but-2-enedioic acid;1-(5-methoxy-2H-indazol-3-yl)propan-2-amine

(E)-but-2-enedioic acid;1-(5-methoxy-2H-indazol-3-yl)propan-2-amine (PubChem CID 70287691) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is (E)-but-2-enedioic acid;1-(5-methoxy-2H-indazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name(E)-but-2-enedioic acid;1-(5-methoxy-2H-indazol-3-yl)propan-2-amine
PubChem CID70287691
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name(E)-but-2-enedioic acid;1-(5-methoxy-2H-indazol-3-yl)propan-2-amine
SMILESCOc1ccc2n[nH]c(CC(C)N)c2c1.O=C(O)/C=C/C(=O)O
InChIInChI=1S/C11H15N3O.C4H4O4/c1-7(12)5-11-9-6-8(15-2)3-4-10(9)13-14-11;5-3(6)1-2-4(7)8/h3-4,6-7H,5,12H2,1-2H3,(H,13,14);1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKeyKYKGWTVROZYKCO-WLHGVMLRSA-N
XLogP1.17
TPSA138.53 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 51.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-but-2-enedioic acid;1-(5-methoxy-2H-indazol-3-yl)propan-2-amine with MolForge

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Related Compounds

1-(6-methoxy-2H-indazol-3-yl)propan-2-amine
CID 83908741
2-(5-methoxy-2H-indazol-3-yl)acetamide
CID 76846209
4-(2-aminopropyl)-6-methoxy-3H-quinazolin-2-one
CID 105492755
(E)-but-2-enedioic acid;6-methoxyquinolin-4-amine
CID 87801911
(2R)-1-(5-fluoro-2H-indazol-3-yl)propan-2-amine
CID 92670275
N-[2-(5-methoxy-2H-indazol-3-yl)ethyl]propanamide
CID 57230790
(2S,4R)-4-amino-1-[(5-methoxy-2H-indazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 70765873
(E)-3-[4-methoxy-2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propyl]phenyl]prop-2-enoic acid
CID 70253109
(2R)-2-amino-3-(2H-indazol-3-yl)propanoic acid
CID 90478787
3-(2-aminopropyl)-2-chloro-6-methoxyquinazolin-4-one
CID 117264100
methyl 2-[2-(2-aminopropyl)-4-methoxyphenoxy]acetate
CID 54930741
1-(6-methoxy-1H-indol-3-yl)propan-2-amine;hydrochloride
CID 2965218

Frequently Asked Questions

What is the IUPAC name of (E)-but-2-enedioic acid;1-(5-methoxy-2H-indazol-3-yl)propan-2-amine?
The IUPAC name of (E)-but-2-enedioic acid;1-(5-methoxy-2H-indazol-3-yl)propan-2-amine (CID 70287691) is (E)-but-2-enedioic acid;1-(5-methoxy-2H-indazol-3-yl)propan-2-amine.
What is the SMILES notation for (E)-but-2-enedioic acid;1-(5-methoxy-2H-indazol-3-yl)propan-2-amine?
The canonical SMILES for (E)-but-2-enedioic acid;1-(5-methoxy-2H-indazol-3-yl)propan-2-amine is COc1ccc2n[nH]c(CC(C)N)c2c1.O=C(O)/C=C/C(=O)O.
What is the InChIKey of (E)-but-2-enedioic acid;1-(5-methoxy-2H-indazol-3-yl)propan-2-amine?
The InChIKey is KYKGWTVROZYKCO-WLHGVMLRSA-N. The full InChI is InChI=1S/C11H15N3O.C4H4O4/c1-7(12)5-11-9-6-8(15-2)3-4-10(9)13-14-11;5-3(6)1-2-4(7)8/h3-4,6-7H,5,12H2,1-2H3,(H,13,14);1-2H,(H,5,6)(H,7,8)/b;2-1+.
What are the key properties of (E)-but-2-enedioic acid;1-(5-methoxy-2H-indazol-3-yl)propan-2-amine?
(E)-but-2-enedioic acid;1-(5-methoxy-2H-indazol-3-yl)propan-2-amine has a molecular weight of 321.33 g/mol, XLogP of 1.17, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-enedioic acid;1-(5-methoxy-2H-indazol-3-yl)propan-2-amine is sourced from PubChem (CID 70287691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).