but-2-enoic acid;2-methoxyethanamine

C7H15NO3 — CID 173271509

IUPACbut-2-enoic acid;2-methoxyethanamine
SMILESCC=CC(=O)O.COCCN
InChIInChI=1S/C4H6O2.C3H9NO/c1-2-3-4(5)6;1-5-3-2-4/h2-3H,1H3,(H,5,6);2-4H2,1H3
InChIKeyAVWIQTXWMQZKCQ-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.24
Rot. Bonds3

About but-2-enoic acid;2-methoxyethanamine

but-2-enoic acid;2-methoxyethanamine (PubChem CID 173271509) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is but-2-enoic acid;2-methoxyethanamine.

Molecular Properties

Compound Namebut-2-enoic acid;2-methoxyethanamine
PubChem CID173271509
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Namebut-2-enoic acid;2-methoxyethanamine
SMILESCC=CC(=O)O.COCCN
InChIInChI=1S/C4H6O2.C3H9NO/c1-2-3-4(5)6;1-5-3-2-4/h2-3H,1H3,(H,5,6);2-4H2,1H3
InChIKeyAVWIQTXWMQZKCQ-UHFFFAOYSA-N
XLogP0.24
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-but-2-enoic acid
CID 637090
(Z)-but-2-ene;(Z)-but-2-enoic acid
CID 158994925
(Z)-but-2-enoic acid;yttrium
CID 58782397
2-(2-methoxyethoxy)ethyl (Z)-but-2-enoate
CID 5385708
methane;(E)-4-(2-methoxyethoxy)-4-oxobut-2-enoic acid
CID 157127007
but-2-enoic acid;phosphane;hydrate
CID 161337391
barium(2+);but-2-enoic acid;hydride
CID 173455030
but-2-enoic acid;ethane-1,2-diol;phosphoric acid
CID 172767718
2-methoxyethyl 2-ethylidenepent-3-enoate
CID 123997768
but-2-enoic acid;formic acid
CID 53399155
3-[tris(2-methoxyethoxy)silyl]propyl but-2-enoate
CID 57295755
1-aminoethanol;(E)-but-2-enoic acid
CID 87299473

Frequently Asked Questions

What is the IUPAC name of but-2-enoic acid;2-methoxyethanamine?
The IUPAC name of but-2-enoic acid;2-methoxyethanamine (CID 173271509) is but-2-enoic acid;2-methoxyethanamine.
What is the SMILES notation for but-2-enoic acid;2-methoxyethanamine?
The canonical SMILES for but-2-enoic acid;2-methoxyethanamine is CC=CC(=O)O.COCCN.
What is the InChIKey of but-2-enoic acid;2-methoxyethanamine?
The InChIKey is AVWIQTXWMQZKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C3H9NO/c1-2-3-4(5)6;1-5-3-2-4/h2-3H,1H3,(H,5,6);2-4H2,1H3.
What are the key properties of but-2-enoic acid;2-methoxyethanamine?
but-2-enoic acid;2-methoxyethanamine has a molecular weight of 161.20 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enoic acid;2-methoxyethanamine is sourced from PubChem (CID 173271509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).