2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid

C13H19NO3 — CID 54900678

IUPAC2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid
SMILESCCN(CC(=O)O)Cc1cc(C)ccc1OC
InChIInChI=1S/C13H19NO3/c1-4-14(9-13(15)16)8-11-7-10(2)5-6-12(11)17-3/h5-7H,4,8-9H2,1-3H3,(H,15,16)
InChIKeyWNFVKWTWOOSGFG-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.91
Rot. Bonds6

About 2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid

2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid (PubChem CID 54900678) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid
PubChem CID54900678
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid
SMILESCCN(CC(=O)O)Cc1cc(C)ccc1OC
InChIInChI=1S/C13H19NO3/c1-4-14(9-13(15)16)8-11-7-10(2)5-6-12(11)17-3/h5-7H,4,8-9H2,1-3H3,(H,15,16)
InChIKeyWNFVKWTWOOSGFG-UHFFFAOYSA-N
XLogP1.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butan-2-yl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid
CID 60834543
2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]-N'-hydroxyethanimidamide
CID 76936773
(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid
CID 115170937
2-[N-(carboxymethyl)-2-methoxy-5-methylanilino]acetic acid
CID 94690899
N'-ethyl-N'-[(2-methoxy-5-methylphenyl)methyl]propane-1,3-diamine
CID 62155475
2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 39382765
3-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methylbutanoic acid
CID 117042414
2-[cyclopropyl-[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid
CID 60826379
3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-one
CID 114965728
2-[ethyl-[3-[(2-methoxy-5-methylphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122042318
2-[(2,5-dimethoxyphenyl)methyl-prop-2-enylamino]acetic acid
CID 39364528
3-[(5-chloro-2-methoxyphenyl)methyl-ethylamino]propanoic acid
CID 61010059

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid (CID 54900678) is 2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid is CCN(CC(=O)O)Cc1cc(C)ccc1OC.
What is the InChIKey of 2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid?
The InChIKey is WNFVKWTWOOSGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-14(9-13(15)16)8-11-7-10(2)5-6-12(11)17-3/h5-7H,4,8-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid?
2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid has a molecular weight of 237.30 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 54900678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).