(E)-2-acetamido-3-methoxyprop-2-enoic acid

C6H9NO4 — CID 5369242

IUPAC(E)-2-acetamido-3-methoxyprop-2-enoic acid
SMILESCO/C=C(/NC(C)=O)C(=O)O
InChIInChI=1S/C6H9NO4/c1-4(8)7-5(3-11-2)6(9)10/h3H,1-2H3,(H,7,8)(H,9,10)/b5-3+
InChIKeyXGCPTLSCFYYUCA-HWKANZROSA-N
MW159.14 g/mol
LogP-0.31
Rot. Bonds3

About (E)-2-acetamido-3-methoxyprop-2-enoic acid

(E)-2-acetamido-3-methoxyprop-2-enoic acid (PubChem CID 5369242) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is (E)-2-acetamido-3-methoxyprop-2-enoic acid.

Molecular Properties

Compound Name(E)-2-acetamido-3-methoxyprop-2-enoic acid
PubChem CID5369242
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name(E)-2-acetamido-3-methoxyprop-2-enoic acid
SMILESCO/C=C(/NC(C)=O)C(=O)O
InChIInChI=1S/C6H9NO4/c1-4(8)7-5(3-11-2)6(9)10/h3H,1-2H3,(H,7,8)(H,9,10)/b5-3+
InChIKeyXGCPTLSCFYYUCA-HWKANZROSA-N
XLogP-0.31
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 3-methoxy-2-(methoxycarbonylamino)prop-2-enoate
CID 71435689
methyl (Z)-2-acetamido-3-iodoprop-2-enoate
CID 15940885
2-acetamido-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
CID 2740034
methanidylidyneazanium;3-methoxy-2-methylprop-2-enoic acid
CID 87773746
(Z)-2-acetamido-3-(2,5-dimethoxyphenyl)prop-2-enoic acid
CID 82254507
methyl (2E)-2-acetamidopenta-2,4-dienoate
CID 101173964
3-methoxy-2-methylprop-2-enoic acid;2-methylprop-2-enoic acid
CID 160866094
[(Z)-3-acetamido-3-carboxyprop-2-enyl]-(hydroxymethyl)-oxophosphanium
CID 86633843
(E)-2-acetamido-3-(2-methoxy-4-pyridinyl)prop-2-enoic acid
CID 104831016
(3-acetamido-4-methoxy-4-oxobut-2-enyl)-methylphosphinic acid
CID 88606475
(E)-2-acetamido-3-(4-fluorophenyl)prop-2-enoic acid
CID 5399285
2-acetamido-3-(4-phenoxyphenyl)prop-2-enoic acid
CID 171137645

Frequently Asked Questions

What is the IUPAC name of (E)-2-acetamido-3-methoxyprop-2-enoic acid?
The IUPAC name of (E)-2-acetamido-3-methoxyprop-2-enoic acid (CID 5369242) is (E)-2-acetamido-3-methoxyprop-2-enoic acid.
What is the SMILES notation for (E)-2-acetamido-3-methoxyprop-2-enoic acid?
The canonical SMILES for (E)-2-acetamido-3-methoxyprop-2-enoic acid is CO/C=C(/NC(C)=O)C(=O)O.
What is the InChIKey of (E)-2-acetamido-3-methoxyprop-2-enoic acid?
The InChIKey is XGCPTLSCFYYUCA-HWKANZROSA-N. The full InChI is InChI=1S/C6H9NO4/c1-4(8)7-5(3-11-2)6(9)10/h3H,1-2H3,(H,7,8)(H,9,10)/b5-3+.
What are the key properties of (E)-2-acetamido-3-methoxyprop-2-enoic acid?
(E)-2-acetamido-3-methoxyprop-2-enoic acid has a molecular weight of 159.14 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-acetamido-3-methoxyprop-2-enoic acid is sourced from PubChem (CID 5369242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).