ethane;2-[(4-methoxyphenyl)methylamino]propanoic acid

C15H27NO3 — CID 91562631

IUPACethane;2-[(4-methoxyphenyl)methylamino]propanoic acid
SMILESCC.CC.COc1ccc(CNC(C)C(=O)O)cc1
InChIInChI=1S/C11H15NO3.2C2H6/c1-8(11(13)14)12-7-9-3-5-10(15-2)6-4-9;2*1-2/h3-6,8,12H,7H2,1-2H3,(H,13,14);2*1-2H3
InChIKeyBNUSTOGEYUDESA-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.31
Rot. Bonds5

About ethane;2-[(4-methoxyphenyl)methylamino]propanoic acid

ethane;2-[(4-methoxyphenyl)methylamino]propanoic acid (PubChem CID 91562631) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is ethane;2-[(4-methoxyphenyl)methylamino]propanoic acid.

Molecular Properties

Compound Nameethane;2-[(4-methoxyphenyl)methylamino]propanoic acid
PubChem CID91562631
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nameethane;2-[(4-methoxyphenyl)methylamino]propanoic acid
SMILESCC.CC.COc1ccc(CNC(C)C(=O)O)cc1
InChIInChI=1S/C11H15NO3.2C2H6/c1-8(11(13)14)12-7-9-3-5-10(15-2)6-4-9;2*1-2/h3-6,8,12H,7H2,1-2H3,(H,13,14);2*1-2H3
InChIKeyBNUSTOGEYUDESA-UHFFFAOYSA-N
XLogP3.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(4-methoxyphenyl)methylamino]propanoate
CID 60780821
2-[(4-ethoxyphenyl)methylamino]propanoic acid
CID 43466880
2-[(3,5-dimethoxyphenyl)methylamino]propanoic acid
CID 54959230
(2S)-2-[[4-(trifluoromethoxy)phenyl]methylamino]propanoic acid
CID 83194888
(2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanoic acid
CID 42254545
2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)propan-1-one
CID 82100112
(2R)-N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]propanamide
CID 9322127
2-[(4-tert-butylphenyl)methylamino]propanoic acid
CID 43467143
(2S)-2-[(4-methoxyphenyl)methylamino]propanal
CID 151027433
2-[(4-methoxyphenyl)methylamino]-N-(4-phenylbutan-2-yl)propanamide
CID 4878013
(2S)-2-[(4-methoxyphenyl)methylamino]-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 2444533
methyl (3S)-3-[(4-methoxyphenyl)methylamino]butanoate
CID 93105717

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(4-methoxyphenyl)methylamino]propanoic acid?
The IUPAC name of ethane;2-[(4-methoxyphenyl)methylamino]propanoic acid (CID 91562631) is ethane;2-[(4-methoxyphenyl)methylamino]propanoic acid.
What is the SMILES notation for ethane;2-[(4-methoxyphenyl)methylamino]propanoic acid?
The canonical SMILES for ethane;2-[(4-methoxyphenyl)methylamino]propanoic acid is CC.CC.COc1ccc(CNC(C)C(=O)O)cc1.
What is the InChIKey of ethane;2-[(4-methoxyphenyl)methylamino]propanoic acid?
The InChIKey is BNUSTOGEYUDESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3.2C2H6/c1-8(11(13)14)12-7-9-3-5-10(15-2)6-4-9;2*1-2/h3-6,8,12H,7H2,1-2H3,(H,13,14);2*1-2H3.
What are the key properties of ethane;2-[(4-methoxyphenyl)methylamino]propanoic acid?
ethane;2-[(4-methoxyphenyl)methylamino]propanoic acid has a molecular weight of 269.38 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(4-methoxyphenyl)methylamino]propanoic acid is sourced from PubChem (CID 91562631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).