2-[(4-ethoxyphenyl)methylamino]propanoic acid

C12H17NO3 — CID 43466880

IUPAC2-[(4-ethoxyphenyl)methylamino]propanoic acid
SMILESCCOc1ccc(CNC(C)C(=O)O)cc1
InChIInChI=1S/C12H17NO3/c1-3-16-11-6-4-10(5-7-11)8-13-9(2)12(14)15/h4-7,9,13H,3,8H2,1-2H3,(H,14,15)
InChIKeyJHDCSYNFYVNJHD-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.65
Rot. Bonds6

About 2-[(4-ethoxyphenyl)methylamino]propanoic acid

2-[(4-ethoxyphenyl)methylamino]propanoic acid (PubChem CID 43466880) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)methylamino]propanoic acid
PubChem CID43466880
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-[(4-ethoxyphenyl)methylamino]propanoic acid
SMILESCCOc1ccc(CNC(C)C(=O)O)cc1
InChIInChI=1S/C12H17NO3/c1-3-16-11-6-4-10(5-7-11)8-13-9(2)12(14)15/h4-7,9,13H,3,8H2,1-2H3,(H,14,15)
InChIKeyJHDCSYNFYVNJHD-UHFFFAOYSA-N
XLogP1.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-[(4-methoxyphenyl)methylamino]propanoic acid
CID 91562631
2-[(3-ethoxyphenyl)methylamino]propanoic acid
CID 61499824
(2S)-2-[[4-(trifluoromethoxy)phenyl]methylamino]propanoic acid
CID 83194888
2-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylamino]propanoic acid
CID 66528329
2-amino-3-[(4-ethoxyphenyl)methylamino]propanoic acid
CID 115240669
2-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid
CID 82344798
(2S)-2-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]propanoic acid
CID 83193372
2-[(4-ethoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115593323
2-[(4-tert-butylphenyl)methylamino]propanoic acid
CID 43467143
(1S)-N-[(4-ethoxyphenyl)methyl]-1-phenylethanamine
CID 927372
N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939
2-[(3,5-dichloro-4-ethoxyphenyl)methylamino]propanoic acid
CID 66527925

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)methylamino]propanoic acid?
The IUPAC name of 2-[(4-ethoxyphenyl)methylamino]propanoic acid (CID 43466880) is 2-[(4-ethoxyphenyl)methylamino]propanoic acid.
What is the SMILES notation for 2-[(4-ethoxyphenyl)methylamino]propanoic acid?
The canonical SMILES for 2-[(4-ethoxyphenyl)methylamino]propanoic acid is CCOc1ccc(CNC(C)C(=O)O)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)methylamino]propanoic acid?
The InChIKey is JHDCSYNFYVNJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-16-11-6-4-10(5-7-11)8-13-9(2)12(14)15/h4-7,9,13H,3,8H2,1-2H3,(H,14,15).
What are the key properties of 2-[(4-ethoxyphenyl)methylamino]propanoic acid?
2-[(4-ethoxyphenyl)methylamino]propanoic acid has a molecular weight of 223.27 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)methylamino]propanoic acid is sourced from PubChem (CID 43466880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).