2-[1-(3-amino-4-ethoxyphenyl)propan-2-yl-methylamino]acetic acid

C14H22N2O3 — CID 82256147

IUPAC2-[1-(3-amino-4-ethoxyphenyl)propan-2-yl-methylamino]acetic acid
SMILESCCOc1ccc(CC(C)N(C)CC(=O)O)cc1N
InChIInChI=1S/C14H22N2O3/c1-4-19-13-6-5-11(8-12(13)15)7-10(2)16(3)9-14(17)18/h5-6,8,10H,4,7,9,15H2,1-3H3,(H,17,18)
InChIKeyAZKUNVATNNBART-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.61
Rot. Bonds7

About 2-[1-(3-amino-4-ethoxyphenyl)propan-2-yl-methylamino]acetic acid

2-[1-(3-amino-4-ethoxyphenyl)propan-2-yl-methylamino]acetic acid (PubChem CID 82256147) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[1-(3-amino-4-ethoxyphenyl)propan-2-yl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[1-(3-amino-4-ethoxyphenyl)propan-2-yl-methylamino]acetic acid
PubChem CID82256147
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[1-(3-amino-4-ethoxyphenyl)propan-2-yl-methylamino]acetic acid
SMILESCCOc1ccc(CC(C)N(C)CC(=O)O)cc1N
InChIInChI=1S/C14H22N2O3/c1-4-19-13-6-5-11(8-12(13)15)7-10(2)16(3)9-14(17)18/h5-6,8,10H,4,7,9,15H2,1-3H3,(H,17,18)
InChIKeyAZKUNVATNNBART-UHFFFAOYSA-N
XLogP1.61
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-(3-amino-4-ethoxyphenyl)-1-oxopropan-2-yl]-methylamino]acetic acid
CID 82256759
3-[1-(3-amino-4-methoxyphenyl)propan-2-yl-methylamino]propanoic acid
CID 82256121
3-[1-(3-ethoxy-4-methoxyphenyl)propan-2-yl-methylamino]propanoic acid
CID 84751639
3-[1-(4-ethoxy-3-methoxyphenyl)propan-2-yl-methylamino]propanoic acid
CID 84751641
1-(3-amino-4-ethoxyphenyl)propan-2-one
CID 54371004
5-[2-[butyl(ethyl)amino]propyl]-2-ethoxyaniline
CID 82256134
3-[[1-(3-amino-4-ethoxyphenyl)-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 82256769
4-(3,4-diethoxyphenyl)-3-(dimethylamino)butanoic acid
CID 82352468
1-amino-1-[1-(3,4-diethoxyphenyl)propan-2-yl]urea
CID 118285034
5-[2-(benzylamino)propyl]-2-ethoxyaniline
CID 82257507
2-[1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-yl-methylamino]acetic acid;hydrochloride
CID 121482377
2-ethoxy-5-[2-(prop-2-enylamino)propyl]aniline
CID 82257510

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-amino-4-ethoxyphenyl)propan-2-yl-methylamino]acetic acid?
The IUPAC name of 2-[1-(3-amino-4-ethoxyphenyl)propan-2-yl-methylamino]acetic acid (CID 82256147) is 2-[1-(3-amino-4-ethoxyphenyl)propan-2-yl-methylamino]acetic acid.
What is the SMILES notation for 2-[1-(3-amino-4-ethoxyphenyl)propan-2-yl-methylamino]acetic acid?
The canonical SMILES for 2-[1-(3-amino-4-ethoxyphenyl)propan-2-yl-methylamino]acetic acid is CCOc1ccc(CC(C)N(C)CC(=O)O)cc1N.
What is the InChIKey of 2-[1-(3-amino-4-ethoxyphenyl)propan-2-yl-methylamino]acetic acid?
The InChIKey is AZKUNVATNNBART-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-19-13-6-5-11(8-12(13)15)7-10(2)16(3)9-14(17)18/h5-6,8,10H,4,7,9,15H2,1-3H3,(H,17,18).
What are the key properties of 2-[1-(3-amino-4-ethoxyphenyl)propan-2-yl-methylamino]acetic acid?
2-[1-(3-amino-4-ethoxyphenyl)propan-2-yl-methylamino]acetic acid has a molecular weight of 266.34 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-amino-4-ethoxyphenyl)propan-2-yl-methylamino]acetic acid is sourced from PubChem (CID 82256147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).