2-[2-(4-methylphenoxy)ethyl-propylamino]acetic acid

C14H21NO3 — CID 61007102

IUPAC2-[2-(4-methylphenoxy)ethyl-propylamino]acetic acid
SMILESCCCN(CCOc1ccc(C)cc1)CC(=O)O
InChIInChI=1S/C14H21NO3/c1-3-8-15(11-14(16)17)9-10-18-13-6-4-12(2)5-7-13/h4-7H,3,8-11H2,1-2H3,(H,16,17)
InChIKeyPNLDRZSLVIKBKN-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.17
Rot. Bonds8

About 2-[2-(4-methylphenoxy)ethyl-propylamino]acetic acid

2-[2-(4-methylphenoxy)ethyl-propylamino]acetic acid (PubChem CID 61007102) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[2-(4-methylphenoxy)ethyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(4-methylphenoxy)ethyl-propylamino]acetic acid
PubChem CID61007102
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[2-(4-methylphenoxy)ethyl-propylamino]acetic acid
SMILESCCCN(CCOc1ccc(C)cc1)CC(=O)O
InChIInChI=1S/C14H21NO3/c1-3-8-15(11-14(16)17)9-10-18-13-6-4-12(2)5-7-13/h4-7H,3,8-11H2,1-2H3,(H,16,17)
InChIKeyPNLDRZSLVIKBKN-UHFFFAOYSA-N
XLogP2.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methylphenoxy)ethyl]-N-propylpropan-1-amine
CID 5261957
2-[2-(4-methylphenoxy)ethyl-prop-2-enylamino]acetic acid
CID 79276865
2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetic acid
CID 43386105
3-[butyl-[2-(4-methylphenoxy)ethyl]amino]propanoic acid
CID 82329434
2-[2-naphthalen-2-yloxyethyl(propyl)amino]acetic acid
CID 61007729
2-[2-(2-chlorophenoxy)ethyl-propylamino]acetic acid
CID 54899208
2-[2-(4-ethoxyphenoxy)ethyl-prop-2-enylamino]acetic acid
CID 79276001
2-[methyl-[3-(4-methylphenoxy)propanoyl]amino]acetic acid
CID 43239733
ethane;4-(4-methylphenoxy)butanoic acid
CID 142364163
2-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 54968853
2-(diethylamino)ethyl 2-(4-methylphenoxy)acetate
CID 76852280
ethyl N-[2-[ethyl-[2-(4-methylphenoxy)ethyl]amino]acetyl]carbamate
CID 8792057

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenoxy)ethyl-propylamino]acetic acid?
The IUPAC name of 2-[2-(4-methylphenoxy)ethyl-propylamino]acetic acid (CID 61007102) is 2-[2-(4-methylphenoxy)ethyl-propylamino]acetic acid.
What is the SMILES notation for 2-[2-(4-methylphenoxy)ethyl-propylamino]acetic acid?
The canonical SMILES for 2-[2-(4-methylphenoxy)ethyl-propylamino]acetic acid is CCCN(CCOc1ccc(C)cc1)CC(=O)O.
What is the InChIKey of 2-[2-(4-methylphenoxy)ethyl-propylamino]acetic acid?
The InChIKey is PNLDRZSLVIKBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-8-15(11-14(16)17)9-10-18-13-6-4-12(2)5-7-13/h4-7H,3,8-11H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-(4-methylphenoxy)ethyl-propylamino]acetic acid?
2-[2-(4-methylphenoxy)ethyl-propylamino]acetic acid has a molecular weight of 251.33 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenoxy)ethyl-propylamino]acetic acid is sourced from PubChem (CID 61007102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).