2-[2-(2-methylphenoxy)ethyl-propan-2-ylamino]acetic acid

C14H21NO3 — CID 60838634

IUPAC2-[2-(2-methylphenoxy)ethyl-propan-2-ylamino]acetic acid
SMILESCc1ccccc1OCCN(CC(=O)O)C(C)C
InChIInChI=1S/C14H21NO3/c1-11(2)15(10-14(16)17)8-9-18-13-7-5-4-6-12(13)3/h4-7,11H,8-10H2,1-3H3,(H,16,17)
InChIKeyVGSKYYGCRMDWAI-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.17
Rot. Bonds7

About 2-[2-(2-methylphenoxy)ethyl-propan-2-ylamino]acetic acid

2-[2-(2-methylphenoxy)ethyl-propan-2-ylamino]acetic acid (PubChem CID 60838634) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[2-(2-methylphenoxy)ethyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(2-methylphenoxy)ethyl-propan-2-ylamino]acetic acid
PubChem CID60838634
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[2-(2-methylphenoxy)ethyl-propan-2-ylamino]acetic acid
SMILESCc1ccccc1OCCN(CC(=O)O)C(C)C
InChIInChI=1S/C14H21NO3/c1-11(2)15(10-14(16)17)8-9-18-13-7-5-4-6-12(13)3/h4-7,11H,8-10H2,1-3H3,(H,16,17)
InChIKeyVGSKYYGCRMDWAI-UHFFFAOYSA-N
XLogP2.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

2-[4-(2-methylphenoxy)butanoyl-propan-2-ylamino]acetic acid
CID 60832572
2-[2-[2-(4-tert-butylphenyl)sulfanylphenoxy]ethyl-propan-2-ylamino]acetic acid
CID 11281066
2-[3-(2-methylphenoxy)propanoyl-(2-methylpropyl)amino]acetic acid
CID 62034091
2,3-dimethyl-4-[methyl-[2-(2-methylphenoxy)ethyl]amino]-4-oxobutanoic acid
CID 103497587
2-[butan-2-yl-[3-(2-methylphenoxy)propanoyl]amino]acetic acid
CID 60828723
3-methyl-5-[methyl-[2-(2-methylphenoxy)ethyl]amino]-5-oxopentanoic acid
CID 62964902
2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetic acid
CID 60838792
2-[4-(2-methylphenoxy)butanoyl-propylamino]acetic acid
CID 61007178
2-[benzenesulfonyl(methyl)amino]-N-methyl-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 55623064
(2S)-N-benzyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
CID 27123609
3-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]-2-phenylpropanamide
CID 119695605
7-(2-methylphenoxy)heptanoic acid
CID 92930643

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylphenoxy)ethyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[2-(2-methylphenoxy)ethyl-propan-2-ylamino]acetic acid (CID 60838634) is 2-[2-(2-methylphenoxy)ethyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[2-(2-methylphenoxy)ethyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[2-(2-methylphenoxy)ethyl-propan-2-ylamino]acetic acid is Cc1ccccc1OCCN(CC(=O)O)C(C)C.
What is the InChIKey of 2-[2-(2-methylphenoxy)ethyl-propan-2-ylamino]acetic acid?
The InChIKey is VGSKYYGCRMDWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11(2)15(10-14(16)17)8-9-18-13-7-5-4-6-12(13)3/h4-7,11H,8-10H2,1-3H3,(H,16,17).
What are the key properties of 2-[2-(2-methylphenoxy)ethyl-propan-2-ylamino]acetic acid?
2-[2-(2-methylphenoxy)ethyl-propan-2-ylamino]acetic acid has a molecular weight of 251.33 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylphenoxy)ethyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 60838634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).