3-[2-ethoxypropanoyl(methyl)amino]propanoic acid

C9H17NO4 — CID 119232901

IUPAC3-[2-ethoxypropanoyl(methyl)amino]propanoic acid
SMILESCCOC(C)C(=O)N(C)CCC(=O)O
InChIInChI=1S/C9H17NO4/c1-4-14-7(2)9(13)10(3)6-5-8(11)12/h7H,4-6H2,1-3H3,(H,11,12)
InChIKeyGLGVJTYYRMKMSO-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.34
Rot. Bonds6

About 3-[2-ethoxypropanoyl(methyl)amino]propanoic acid

3-[2-ethoxypropanoyl(methyl)amino]propanoic acid (PubChem CID 119232901) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-[2-ethoxypropanoyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-ethoxypropanoyl(methyl)amino]propanoic acid
PubChem CID119232901
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name3-[2-ethoxypropanoyl(methyl)amino]propanoic acid
SMILESCCOC(C)C(=O)N(C)CCC(=O)O
InChIInChI=1S/C9H17NO4/c1-4-14-7(2)9(13)10(3)6-5-8(11)12/h7H,4-6H2,1-3H3,(H,11,12)
InChIKeyGLGVJTYYRMKMSO-UHFFFAOYSA-N
XLogP0.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-methyl-N-propylpropanamide
CID 145156816
2-ethoxy-N-(3-hydroxybutyl)-N-methylpropanamide
CID 111695628
4-[2-methoxypropanoyl(methyl)amino]butanoic acid
CID 115729894
3-[(6-amino-2-methylheptanoyl)-methylamino]propanoic acid
CID 65291161
3-[methyl-[2-(oxan-2-ylmethoxy)propanoyl]amino]propanoic acid
CID 119232781
3-[methyl(2-propylpentanoyl)amino]propanoic acid
CID 82985471
3-[[2-(carbamoylamino)-3-methylpentanoyl]-methylamino]propanoic acid
CID 60989657
3-[2-(2-chlorophenoxy)propanoyl-methylamino]propanoic acid
CID 60989868
3-[2-(2-fluorophenoxy)propanoyl-methylamino]propanoic acid
CID 60989857
3-[methyl-(3-methyl-2-phenylpentanoyl)amino]propanoic acid
CID 60990079
3-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]propanoic acid
CID 99849415
3-[3-ethylpentanoyl(methyl)amino]propanoic acid
CID 119362677

Frequently Asked Questions

What is the IUPAC name of 3-[2-ethoxypropanoyl(methyl)amino]propanoic acid?
The IUPAC name of 3-[2-ethoxypropanoyl(methyl)amino]propanoic acid (CID 119232901) is 3-[2-ethoxypropanoyl(methyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-ethoxypropanoyl(methyl)amino]propanoic acid?
The canonical SMILES for 3-[2-ethoxypropanoyl(methyl)amino]propanoic acid is CCOC(C)C(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[2-ethoxypropanoyl(methyl)amino]propanoic acid?
The InChIKey is GLGVJTYYRMKMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-4-14-7(2)9(13)10(3)6-5-8(11)12/h7H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 3-[2-ethoxypropanoyl(methyl)amino]propanoic acid?
3-[2-ethoxypropanoyl(methyl)amino]propanoic acid has a molecular weight of 203.24 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethoxypropanoyl(methyl)amino]propanoic acid is sourced from PubChem (CID 119232901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).