2-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid

C14H20N2O4 — CID 119912482

IUPAC2-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid
SMILESCOc1ccc(CNC(=O)CN(C)C(C)C(=O)O)cc1
InChIInChI=1S/C14H20N2O4/c1-10(14(18)19)16(2)9-13(17)15-8-11-4-6-12(20-3)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyBYCXTTJECZKVKF-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.72
Rot. Bonds7

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

2-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid (PubChem CID 119912482) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid
PubChem CID119912482
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid
SMILESCOc1ccc(CNC(=O)CN(C)C(C)C(=O)O)cc1
InChIInChI=1S/C14H20N2O4/c1-10(14(18)19)16(2)9-13(17)15-8-11-4-6-12(20-3)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyBYCXTTJECZKVKF-UHFFFAOYSA-N
XLogP0.72
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[2-oxo-2-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]propanoic acid;hydrochloride
CID 119912945
2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid
CID 62638720
N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 877839
2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid;hydrochloride
CID 119913768
N-[(4-methoxyphenyl)methyl]-N'-propan-2-ylpropanediamide
CID 108940806
2-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2544461
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide
CID 22690461
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[(4-methoxyphenyl)methyl]-2-(N,3,5-trimethylanilino)acetamide
CID 52689431
2-[[2-(2,4-dimethoxyanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119912912
N-[2-(4-methoxyphenyl)ethyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 24507139
2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid (CID 119912482) is 2-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid is COc1ccc(CNC(=O)CN(C)C(C)C(=O)O)cc1.
What is the InChIKey of 2-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid?
The InChIKey is BYCXTTJECZKVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10(14(18)19)16(2)9-13(17)15-8-11-4-6-12(20-3)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,15,17)(H,18,19).
What are the key properties of 2-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid?
2-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid has a molecular weight of 280.32 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid is sourced from PubChem (CID 119912482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).