3-[[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]propanoic acid

C15H22N2O4 — CID 119911597

IUPAC3-[[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]propanoic acid
SMILESCOc1ccccc1CN(C)C(=O)CN(C)CCC(=O)O
InChIInChI=1S/C15H22N2O4/c1-16(9-8-15(19)20)11-14(18)17(2)10-12-6-4-5-7-13(12)21-3/h4-7H,8-11H2,1-3H3,(H,19,20)
InChIKeyAGIOBGGMXMQIJM-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.06
Rot. Bonds8

About 3-[[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]propanoic acid

3-[[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]propanoic acid (PubChem CID 119911597) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]propanoic acid
PubChem CID119911597
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-[[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]propanoic acid
SMILESCOc1ccccc1CN(C)C(=O)CN(C)CCC(=O)O
InChIInChI=1S/C15H22N2O4/c1-16(9-8-15(19)20)11-14(18)17(2)10-12-6-4-5-7-13(12)21-3/h4-7H,8-11H2,1-3H3,(H,19,20)
InChIKeyAGIOBGGMXMQIJM-UHFFFAOYSA-N
XLogP1.06
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62232246
3-[[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]propanoic acid
CID 60987110
N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949
2-amino-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 60718962
3-[(2-methoxyphenyl)methyl-propan-2-ylamino]propanoic acid
CID 60833930
2-[(3-fluorophenyl)methyl-methylamino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 86908474
N-[(2-methoxyphenyl)methyl]-N-methyl-3-phenylsulfanylpropanamide
CID 46778454
3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94685610
3-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 27095531
7-amino-N-[(2-methoxyphenyl)methyl]-N-methylheptanamide
CID 61027379
3-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 60988210
2-[(3-cyanophenyl)methyl-methylamino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 86931089

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]propanoic acid?
The IUPAC name of 3-[[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]propanoic acid (CID 119911597) is 3-[[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]propanoic acid is COc1ccccc1CN(C)C(=O)CN(C)CCC(=O)O.
What is the InChIKey of 3-[[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]propanoic acid?
The InChIKey is AGIOBGGMXMQIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-16(9-8-15(19)20)11-14(18)17(2)10-12-6-4-5-7-13(12)21-3/h4-7H,8-11H2,1-3H3,(H,19,20).
What are the key properties of 3-[[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]propanoic acid?
3-[[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]propanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]propanoic acid is sourced from PubChem (CID 119911597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).