2-(1-methoxyethenylamino)acetic acid;3-(4-methoxyphenyl)prop-2-enoic acid

C15H19NO6 — CID 67565632

IUPAC2-(1-methoxyethenylamino)acetic acid;3-(4-methoxyphenyl)prop-2-enoic acid
SMILESC=C(NCC(=O)O)OC.COc1ccc(C=CC(=O)O)cc1
InChIInChI=1S/C10H10O3.C5H9NO3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12;1-4(9-2)6-3-5(7)8/h2-7H,1H3,(H,11,12);6H,1,3H2,2H3,(H,7,8)
InChIKeyQTUYJDNXSAGBPR-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.57
Rot. Bonds7

About 2-(1-methoxyethenylamino)acetic acid;3-(4-methoxyphenyl)prop-2-enoic acid

2-(1-methoxyethenylamino)acetic acid;3-(4-methoxyphenyl)prop-2-enoic acid (PubChem CID 67565632) has the molecular formula C15H19NO6 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-(1-methoxyethenylamino)acetic acid;3-(4-methoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-(1-methoxyethenylamino)acetic acid;3-(4-methoxyphenyl)prop-2-enoic acid
PubChem CID67565632
Molecular FormulaC15H19NO6
Molecular Weight309.32 g/mol
Exact Mass309.12
IUPAC Name2-(1-methoxyethenylamino)acetic acid;3-(4-methoxyphenyl)prop-2-enoic acid
SMILESC=C(NCC(=O)O)OC.COc1ccc(C=CC(=O)O)cc1
InChIInChI=1S/C10H10O3.C5H9NO3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12;1-4(9-2)6-3-5(7)8/h2-7H,1H3,(H,11,12);6H,1,3H2,2H3,(H,7,8)
InChIKeyQTUYJDNXSAGBPR-UHFFFAOYSA-N
XLogP1.57
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

2-[3-(4-methoxyphenyl)prop-2-enoylamino]acetic acid
CID 3401706
azane;3-(4-methoxyphenyl)prop-2-enoic acid
CID 69170701
CID 69129935
CID 69129935
3-[4-(4-methoxyphenoxy)phenyl]prop-2-enoic acid
CID 20993961
(E)-3-(4-methoxyphenyl)prop-2-enoic acid;methylcyclopropane
CID 67564177
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 2097972
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]prop-2-enamide
CID 2933087
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
3-methoxy-5-(4-methoxyphenyl)penta-2,4-dienoic acid
CID 71336334
4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]butanoic acid
CID 24705756
3-(4-methoxyphenyl)prop-2-enoic acid;propyl propanoate
CID 159554839

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethenylamino)acetic acid;3-(4-methoxyphenyl)prop-2-enoic acid?
The IUPAC name of 2-(1-methoxyethenylamino)acetic acid;3-(4-methoxyphenyl)prop-2-enoic acid (CID 67565632) is 2-(1-methoxyethenylamino)acetic acid;3-(4-methoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for 2-(1-methoxyethenylamino)acetic acid;3-(4-methoxyphenyl)prop-2-enoic acid?
The canonical SMILES for 2-(1-methoxyethenylamino)acetic acid;3-(4-methoxyphenyl)prop-2-enoic acid is C=C(NCC(=O)O)OC.COc1ccc(C=CC(=O)O)cc1.
What is the InChIKey of 2-(1-methoxyethenylamino)acetic acid;3-(4-methoxyphenyl)prop-2-enoic acid?
The InChIKey is QTUYJDNXSAGBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3.C5H9NO3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12;1-4(9-2)6-3-5(7)8/h2-7H,1H3,(H,11,12);6H,1,3H2,2H3,(H,7,8).
What are the key properties of 2-(1-methoxyethenylamino)acetic acid;3-(4-methoxyphenyl)prop-2-enoic acid?
2-(1-methoxyethenylamino)acetic acid;3-(4-methoxyphenyl)prop-2-enoic acid has a molecular weight of 309.32 g/mol, XLogP of 1.57, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethenylamino)acetic acid;3-(4-methoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 67565632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).