2-[(ethoxyamino)methyl]prop-2-enoic acid

C6H11NO3 — CID 103254516

IUPAC2-[(ethoxyamino)methyl]prop-2-enoic acid
SMILESC=C(CNOCC)C(=O)O
InChIInChI=1S/C6H11NO3/c1-3-10-7-4-5(2)6(8)9/h7H,2-4H2,1H3,(H,8,9)
InChIKeyJZQXGOZYMMUMDR-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.17
Rot. Bonds5

About 2-[(ethoxyamino)methyl]prop-2-enoic acid

2-[(ethoxyamino)methyl]prop-2-enoic acid (PubChem CID 103254516) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-[(ethoxyamino)methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[(ethoxyamino)methyl]prop-2-enoic acid
PubChem CID103254516
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name2-[(ethoxyamino)methyl]prop-2-enoic acid
SMILESC=C(CNOCC)C(=O)O
InChIInChI=1S/C6H11NO3/c1-3-10-7-4-5(2)6(8)9/h7H,2-4H2,1H3,(H,8,9)
InChIKeyJZQXGOZYMMUMDR-UHFFFAOYSA-N
XLogP0.17
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(ethoxyamino)methyl]prop-2-enoic acid?
The IUPAC name of 2-[(ethoxyamino)methyl]prop-2-enoic acid (CID 103254516) is 2-[(ethoxyamino)methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[(ethoxyamino)methyl]prop-2-enoic acid?
The canonical SMILES for 2-[(ethoxyamino)methyl]prop-2-enoic acid is C=C(CNOCC)C(=O)O.
What is the InChIKey of 2-[(ethoxyamino)methyl]prop-2-enoic acid?
The InChIKey is JZQXGOZYMMUMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-3-10-7-4-5(2)6(8)9/h7H,2-4H2,1H3,(H,8,9).
What are the key properties of 2-[(ethoxyamino)methyl]prop-2-enoic acid?
2-[(ethoxyamino)methyl]prop-2-enoic acid has a molecular weight of 145.16 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(ethoxyamino)methyl]prop-2-enoic acid is sourced from PubChem (CID 103254516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).