4-[(4-ethoxyphenyl)methyl-methylamino]-3-hydroxybutanoic acid

C14H21NO4 — CID 115123071

IUPAC4-[(4-ethoxyphenyl)methyl-methylamino]-3-hydroxybutanoic acid
SMILESCCOc1ccc(CN(C)CC(O)CC(=O)O)cc1
InChIInChI=1S/C14H21NO4/c1-3-19-13-6-4-11(5-7-13)9-15(2)10-12(16)8-14(17)18/h4-7,12,16H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyXAZQXZBIYCPQSJ-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.35
Rot. Bonds8

About 4-[(4-ethoxyphenyl)methyl-methylamino]-3-hydroxybutanoic acid

4-[(4-ethoxyphenyl)methyl-methylamino]-3-hydroxybutanoic acid (PubChem CID 115123071) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 4-[(4-ethoxyphenyl)methyl-methylamino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[(4-ethoxyphenyl)methyl-methylamino]-3-hydroxybutanoic acid
PubChem CID115123071
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name4-[(4-ethoxyphenyl)methyl-methylamino]-3-hydroxybutanoic acid
SMILESCCOc1ccc(CN(C)CC(O)CC(=O)O)cc1
InChIInChI=1S/C14H21NO4/c1-3-19-13-6-4-11(5-7-13)9-15(2)10-12(16)8-14(17)18/h4-7,12,16H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyXAZQXZBIYCPQSJ-UHFFFAOYSA-N
XLogP1.35
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol
CID 62335072
2-[(4-ethoxyphenyl)methyl-methylamino]acetic acid
CID 39245612
N-benzhydryl-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8024029
4-[(3-chlorophenyl)methyl-methylamino]-3-hydroxybutanoic acid
CID 82776807
4-[(4-ethoxyphenyl)methyl-methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497496
3-(diethylamino)-4-(4-ethoxyphenyl)butanoic acid
CID 82352344
3-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]-methylamino]propanoic acid
CID 82216131
4-[3-[benzyl(methyl)amino]-2-hydroxypropoxy]benzamide
CID 109415224
N-[[(2R)-butan-2-yl]carbamoyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8799035
N-[(4-ethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide
CID 78780749
(3S)-4-(4-butoxyphenyl)-3-hydroxybutanoic acid
CID 125466202
(3R)-4-(4-butoxyphenyl)-3-hydroxybutanoic acid
CID 125466201

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenyl)methyl-methylamino]-3-hydroxybutanoic acid?
The IUPAC name of 4-[(4-ethoxyphenyl)methyl-methylamino]-3-hydroxybutanoic acid (CID 115123071) is 4-[(4-ethoxyphenyl)methyl-methylamino]-3-hydroxybutanoic acid.
What is the SMILES notation for 4-[(4-ethoxyphenyl)methyl-methylamino]-3-hydroxybutanoic acid?
The canonical SMILES for 4-[(4-ethoxyphenyl)methyl-methylamino]-3-hydroxybutanoic acid is CCOc1ccc(CN(C)CC(O)CC(=O)O)cc1.
What is the InChIKey of 4-[(4-ethoxyphenyl)methyl-methylamino]-3-hydroxybutanoic acid?
The InChIKey is XAZQXZBIYCPQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-3-19-13-6-4-11(5-7-13)9-15(2)10-12(16)8-14(17)18/h4-7,12,16H,3,8-10H2,1-2H3,(H,17,18).
What are the key properties of 4-[(4-ethoxyphenyl)methyl-methylamino]-3-hydroxybutanoic acid?
4-[(4-ethoxyphenyl)methyl-methylamino]-3-hydroxybutanoic acid has a molecular weight of 267.32 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenyl)methyl-methylamino]-3-hydroxybutanoic acid is sourced from PubChem (CID 115123071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).