2-(2-methoxyphenyl)-2-(prop-1-en-2-yloxycarbonylamino)acetic acid

C13H15NO5 — CID 89206089

IUPAC2-(2-methoxyphenyl)-2-(prop-1-en-2-yloxycarbonylamino)acetic acid
SMILESC=C(C)OC(=O)NC(C(=O)O)c1ccccc1OC
InChIInChI=1S/C13H15NO5/c1-8(2)19-13(17)14-11(12(15)16)9-6-4-5-7-10(9)18-3/h4-7,11H,1H2,2-3H3,(H,14,17)(H,15,16)
InChIKeyHDUBQZGLHUXIGV-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.08
Rot. Bonds5

About 2-(2-methoxyphenyl)-2-(prop-1-en-2-yloxycarbonylamino)acetic acid

2-(2-methoxyphenyl)-2-(prop-1-en-2-yloxycarbonylamino)acetic acid (PubChem CID 89206089) has the molecular formula C13H15NO5 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-2-(prop-1-en-2-yloxycarbonylamino)acetic acid.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-2-(prop-1-en-2-yloxycarbonylamino)acetic acid
PubChem CID89206089
Molecular FormulaC13H15NO5
Molecular Weight265.27 g/mol
Exact Mass265.10
IUPAC Name2-(2-methoxyphenyl)-2-(prop-1-en-2-yloxycarbonylamino)acetic acid
SMILESC=C(C)OC(=O)NC(C(=O)O)c1ccccc1OC
InChIInChI=1S/C13H15NO5/c1-8(2)19-13(17)14-11(12(15)16)9-6-4-5-7-10(9)18-3/h4-7,11H,1H2,2-3H3,(H,14,17)(H,15,16)
InChIKeyHDUBQZGLHUXIGV-UHFFFAOYSA-N
XLogP2.08
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(methoxycarbonylamino)-2-(2-methylphenyl)acetic acid
CID 67681824
2-(2-methoxyphenyl)-2-(prop-2-ynylamino)acetic acid
CID 62353700
3-[(diphenylphosphinothioylamino)-(2-methoxyphenyl)methyl]but-3-en-2-one
CID 23643632
2-(2-methoxyphenyl)-2-(3-methoxypropylamino)acetic acid
CID 84745991
2-(2-methoxyphenyl)-2-(3-methylanilino)acetic acid
CID 60993074
(2R)-2-bromo-2-(2-methoxyphenyl)acetic acid
CID 129386979
(2R)-2-[3-(2-methoxyphenyl)butanoylamino]-2-phenylacetic acid
CID 119367831
(2-prop-1-en-2-ylphenyl) N-propan-2-ylcarbamate
CID 175099692
3-(2-methoxyphenyl)-2-methyl-3-(methylamino)propanoic acid
CID 116953394
2-[acetyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid
CID 63701934
3-(2-methoxyphenyl)-2,3-bis(methylamino)propanoic acid
CID 116961127
2-chloro-2-(2-methoxyphenyl)-N-propan-2-ylacetamide
CID 62224229

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-2-(prop-1-en-2-yloxycarbonylamino)acetic acid?
The IUPAC name of 2-(2-methoxyphenyl)-2-(prop-1-en-2-yloxycarbonylamino)acetic acid (CID 89206089) is 2-(2-methoxyphenyl)-2-(prop-1-en-2-yloxycarbonylamino)acetic acid.
What is the SMILES notation for 2-(2-methoxyphenyl)-2-(prop-1-en-2-yloxycarbonylamino)acetic acid?
The canonical SMILES for 2-(2-methoxyphenyl)-2-(prop-1-en-2-yloxycarbonylamino)acetic acid is C=C(C)OC(=O)NC(C(=O)O)c1ccccc1OC.
What is the InChIKey of 2-(2-methoxyphenyl)-2-(prop-1-en-2-yloxycarbonylamino)acetic acid?
The InChIKey is HDUBQZGLHUXIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-8(2)19-13(17)14-11(12(15)16)9-6-4-5-7-10(9)18-3/h4-7,11H,1H2,2-3H3,(H,14,17)(H,15,16).
What are the key properties of 2-(2-methoxyphenyl)-2-(prop-1-en-2-yloxycarbonylamino)acetic acid?
2-(2-methoxyphenyl)-2-(prop-1-en-2-yloxycarbonylamino)acetic acid has a molecular weight of 265.27 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-2-(prop-1-en-2-yloxycarbonylamino)acetic acid is sourced from PubChem (CID 89206089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).