2-(2-chloro-6-methoxyphenyl)-2-(2-methoxyethylamino)acetic acid

C12H16ClNO4 — CID 104816578

IUPAC2-(2-chloro-6-methoxyphenyl)-2-(2-methoxyethylamino)acetic acid
SMILESCOCCNC(C(=O)O)c1c(Cl)cccc1OC
InChIInChI=1S/C12H16ClNO4/c1-17-7-6-14-11(12(15)16)10-8(13)4-3-5-9(10)18-2/h3-5,11,14H,6-7H2,1-2H3,(H,15,16)
InChIKeyQCRZYAKQVUDEFY-UHFFFAOYSA-N
MW273.72 g/mol
LogP1.71
Rot. Bonds7

About 2-(2-chloro-6-methoxyphenyl)-2-(2-methoxyethylamino)acetic acid

2-(2-chloro-6-methoxyphenyl)-2-(2-methoxyethylamino)acetic acid (PubChem CID 104816578) has the molecular formula C12H16ClNO4 and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-(2-chloro-6-methoxyphenyl)-2-(2-methoxyethylamino)acetic acid.

Molecular Properties

Compound Name2-(2-chloro-6-methoxyphenyl)-2-(2-methoxyethylamino)acetic acid
PubChem CID104816578
Molecular FormulaC12H16ClNO4
Molecular Weight273.72 g/mol
Exact Mass273.08
IUPAC Name2-(2-chloro-6-methoxyphenyl)-2-(2-methoxyethylamino)acetic acid
SMILESCOCCNC(C(=O)O)c1c(Cl)cccc1OC
InChIInChI=1S/C12H16ClNO4/c1-17-7-6-14-11(12(15)16)10-8(13)4-3-5-9(10)18-2/h3-5,11,14H,6-7H2,1-2H3,(H,15,16)
InChIKeyQCRZYAKQVUDEFY-UHFFFAOYSA-N
XLogP1.71
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-6-methoxyphenyl)-2-(methylamino)acetic acid
CID 104816514
2-(2-methoxyethylamino)-2-(2-methoxynaphthalen-1-yl)acetic acid
CID 62541221
2-(2-chloro-6-methoxyphenyl)-2-(4-fluoroanilino)acetic acid
CID 104816536
2-(3-chloroanilino)-2-(2-chloro-6-methoxyphenyl)acetic acid
CID 104816535
2-(2-chloro-6-methoxyphenyl)-2-(3-methylanilino)acetic acid
CID 104816539
ethyl 2-(2-chloro-6-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetate
CID 104816553
2-(2-chloro-6-methoxyphenyl)-2-[2-(diethylamino)ethylamino]acetamide
CID 104816476
2-(2-methoxyphenyl)-2-(3-methoxypropylamino)acetic acid
CID 84745991
methyl 2-anilino-2-(2-chloro-6-methoxyphenyl)acetate
CID 104816532
(2S)-4-(2,6-dichloroanilino)-2-(2-methoxyethylamino)-4-oxobutanoic acid
CID 2140663
2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetic acid
CID 83229877
N-[(2-chloro-6-methoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 104816971

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methoxyphenyl)-2-(2-methoxyethylamino)acetic acid?
The IUPAC name of 2-(2-chloro-6-methoxyphenyl)-2-(2-methoxyethylamino)acetic acid (CID 104816578) is 2-(2-chloro-6-methoxyphenyl)-2-(2-methoxyethylamino)acetic acid.
What is the SMILES notation for 2-(2-chloro-6-methoxyphenyl)-2-(2-methoxyethylamino)acetic acid?
The canonical SMILES for 2-(2-chloro-6-methoxyphenyl)-2-(2-methoxyethylamino)acetic acid is COCCNC(C(=O)O)c1c(Cl)cccc1OC.
What is the InChIKey of 2-(2-chloro-6-methoxyphenyl)-2-(2-methoxyethylamino)acetic acid?
The InChIKey is QCRZYAKQVUDEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO4/c1-17-7-6-14-11(12(15)16)10-8(13)4-3-5-9(10)18-2/h3-5,11,14H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-chloro-6-methoxyphenyl)-2-(2-methoxyethylamino)acetic acid?
2-(2-chloro-6-methoxyphenyl)-2-(2-methoxyethylamino)acetic acid has a molecular weight of 273.72 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methoxyphenyl)-2-(2-methoxyethylamino)acetic acid is sourced from PubChem (CID 104816578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).