(Z)-4-amino-4-oxobut-2-enoic acid;2-morpholin-4-ylethanamine

C10H19N3O4 — CID 69339798

IUPAC(Z)-4-amino-4-oxobut-2-enoic acid;2-morpholin-4-ylethanamine
SMILESNC(=O)/C=C\C(=O)O.NCCN1CCOCC1
InChIInChI=1S/C6H14N2O.C4H5NO3/c7-1-2-8-3-5-9-6-4-8;5-3(6)1-2-4(7)8/h1-7H2;1-2H,(H2,5,6)(H,7,8)/b;2-1-
InChIKeySGGXPTQHHKOHQL-BTJKTKAUSA-N
MW245.28 g/mol
LogP-1.61
Rot. Bonds4

About (Z)-4-amino-4-oxobut-2-enoic acid;2-morpholin-4-ylethanamine

(Z)-4-amino-4-oxobut-2-enoic acid;2-morpholin-4-ylethanamine (PubChem CID 69339798) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is (Z)-4-amino-4-oxobut-2-enoic acid;2-morpholin-4-ylethanamine.

Molecular Properties

Compound Name(Z)-4-amino-4-oxobut-2-enoic acid;2-morpholin-4-ylethanamine
PubChem CID69339798
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name(Z)-4-amino-4-oxobut-2-enoic acid;2-morpholin-4-ylethanamine
SMILESNC(=O)/C=C\C(=O)O.NCCN1CCOCC1
InChIInChI=1S/C6H14N2O.C4H5NO3/c7-1-2-8-3-5-9-6-4-8;5-3(6)1-2-4(7)8/h1-7H2;1-2H,(H2,5,6)(H,7,8)/b;2-1-
InChIKeySGGXPTQHHKOHQL-BTJKTKAUSA-N
XLogP-1.61
TPSA118.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-1.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-4-oxobut-2-enoic acid;2-morpholin-4-ylethanamine?
The IUPAC name of (Z)-4-amino-4-oxobut-2-enoic acid;2-morpholin-4-ylethanamine (CID 69339798) is (Z)-4-amino-4-oxobut-2-enoic acid;2-morpholin-4-ylethanamine.
What is the SMILES notation for (Z)-4-amino-4-oxobut-2-enoic acid;2-morpholin-4-ylethanamine?
The canonical SMILES for (Z)-4-amino-4-oxobut-2-enoic acid;2-morpholin-4-ylethanamine is NC(=O)/C=C\C(=O)O.NCCN1CCOCC1.
What is the InChIKey of (Z)-4-amino-4-oxobut-2-enoic acid;2-morpholin-4-ylethanamine?
The InChIKey is SGGXPTQHHKOHQL-BTJKTKAUSA-N. The full InChI is InChI=1S/C6H14N2O.C4H5NO3/c7-1-2-8-3-5-9-6-4-8;5-3(6)1-2-4(7)8/h1-7H2;1-2H,(H2,5,6)(H,7,8)/b;2-1-.
What are the key properties of (Z)-4-amino-4-oxobut-2-enoic acid;2-morpholin-4-ylethanamine?
(Z)-4-amino-4-oxobut-2-enoic acid;2-morpholin-4-ylethanamine has a molecular weight of 245.28 g/mol, XLogP of -1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-4-oxobut-2-enoic acid;2-morpholin-4-ylethanamine is sourced from PubChem (CID 69339798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).