2-[[2-(4-methoxy-3,5-dimethylphenyl)acetyl]amino]acetic acid

C13H17NO4 — CID 110834543

IUPAC2-[[2-(4-methoxy-3,5-dimethylphenyl)acetyl]amino]acetic acid
SMILESCOc1c(C)cc(CC(=O)NCC(=O)O)cc1C
InChIInChI=1S/C13H17NO4/c1-8-4-10(5-9(2)13(8)18-3)6-11(15)14-7-12(16)17/h4-5H,6-7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyBANHCTRTICAKNG-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.06
Rot. Bonds5

About 2-[[2-(4-methoxy-3,5-dimethylphenyl)acetyl]amino]acetic acid

2-[[2-(4-methoxy-3,5-dimethylphenyl)acetyl]amino]acetic acid (PubChem CID 110834543) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-[[2-(4-methoxy-3,5-dimethylphenyl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-methoxy-3,5-dimethylphenyl)acetyl]amino]acetic acid
PubChem CID110834543
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-[[2-(4-methoxy-3,5-dimethylphenyl)acetyl]amino]acetic acid
SMILESCOc1c(C)cc(CC(=O)NCC(=O)O)cc1C
InChIInChI=1S/C13H17NO4/c1-8-4-10(5-9(2)13(8)18-3)6-11(15)14-7-12(16)17/h4-5H,6-7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyBANHCTRTICAKNG-UHFFFAOYSA-N
XLogP1.06
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-(4-methoxy-3,5-dimethylphenyl)acetamide
CID 110832932
2-[[2-(3,4-dimethylphenyl)acetyl]amino]acetic acid
CID 60657051
2-(3,4-dimethoxy-5-methylphenyl)acetic acid
CID 70527445
3-hydroxy-N-[(4-methoxy-3,5-dimethylphenyl)methyl]propanamide
CID 115139094
2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid
CID 43241710
N-(2-anilino-2-oxoethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 55836388
2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid
CID 43387533
2-(4-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide
CID 116844882
1-[(4-methoxy-3,5-dimethylphenyl)methyl]-3-methylurea
CID 115169183
2-[(2-methoxy-3,5-dimethylphenyl)methylamino]acetic acid
CID 82494584
2-(4-methoxy-3,5-dimethylphenyl)ethylurea
CID 115168574
2-[(3,5-dichloro-4-methoxybenzoyl)amino]acetic acid
CID 43354480

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxy-3,5-dimethylphenyl)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(4-methoxy-3,5-dimethylphenyl)acetyl]amino]acetic acid (CID 110834543) is 2-[[2-(4-methoxy-3,5-dimethylphenyl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(4-methoxy-3,5-dimethylphenyl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(4-methoxy-3,5-dimethylphenyl)acetyl]amino]acetic acid is COc1c(C)cc(CC(=O)NCC(=O)O)cc1C.
What is the InChIKey of 2-[[2-(4-methoxy-3,5-dimethylphenyl)acetyl]amino]acetic acid?
The InChIKey is BANHCTRTICAKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-8-4-10(5-9(2)13(8)18-3)6-11(15)14-7-12(16)17/h4-5H,6-7H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 2-[[2-(4-methoxy-3,5-dimethylphenyl)acetyl]amino]acetic acid?
2-[[2-(4-methoxy-3,5-dimethylphenyl)acetyl]amino]acetic acid has a molecular weight of 251.28 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxy-3,5-dimethylphenyl)acetyl]amino]acetic acid is sourced from PubChem (CID 110834543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).