3-[[2-[acetyl(methyl)amino]acetyl]-methylamino]propanoic acid

C9H16N2O4 — CID 60989976

IUPAC3-[[2-[acetyl(methyl)amino]acetyl]-methylamino]propanoic acid
SMILESCC(=O)N(C)CC(=O)N(C)CCC(=O)O
InChIInChI=1S/C9H16N2O4/c1-7(12)11(3)6-8(13)10(2)5-4-9(14)15/h4-6H2,1-3H3,(H,14,15)
InChIKeyFAEMWYONOQPIIP-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.60
Rot. Bonds5

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

3-[[2-[acetyl(methyl)amino]acetyl]-methylamino]propanoic acid (PubChem CID 60989976) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-[[2-[acetyl(methyl)amino]acetyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-[acetyl(methyl)amino]acetyl]-methylamino]propanoic acid
PubChem CID60989976
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name3-[[2-[acetyl(methyl)amino]acetyl]-methylamino]propanoic acid
SMILESCC(=O)N(C)CC(=O)N(C)CCC(=O)O
InChIInChI=1S/C9H16N2O4/c1-7(12)11(3)6-8(13)10(2)5-4-9(14)15/h4-6H2,1-3H3,(H,14,15)
InChIKeyFAEMWYONOQPIIP-UHFFFAOYSA-N
XLogP-0.60
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]propanoic acid
CID 61007980
2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetic acid
CID 43356271
3-[[2-[benzoyl(methyl)amino]acetyl]-methylamino]propanoic acid
CID 60988422
3-[[5-(dimethylamino)-5-oxopentanoyl]-methylamino]propanoic acid
CID 119233192
4-[[2-[acetyl(methyl)amino]acetyl]amino]butanoic acid
CID 43355054
2-[[2-[acetyl(methyl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258213
3-[[2-(tert-butylamino)acetyl]-methylamino]propanoic acid
CID 79256387
3-[3-ethylpentanoyl(methyl)amino]propanoic acid
CID 119362677
3-[carboxymethyl(methyl)amino]propanoic acid
CID 54557646
N-methyl-N-(3-oxobutyl)acetamide
CID 12830531
3-[[2-[(5-bromofuran-2-carbonyl)-methylamino]acetyl]-methylamino]propanoic acid
CID 119232624
3-[[5-(diethylamino)-5-oxopentanoyl]-methylamino]propanoic acid
CID 119232796

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[acetyl(methyl)amino]acetyl]-methylamino]propanoic acid?
The IUPAC name of 3-[[2-[acetyl(methyl)amino]acetyl]-methylamino]propanoic acid (CID 60989976) is 3-[[2-[acetyl(methyl)amino]acetyl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[2-[acetyl(methyl)amino]acetyl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[2-[acetyl(methyl)amino]acetyl]-methylamino]propanoic acid is CC(=O)N(C)CC(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[[2-[acetyl(methyl)amino]acetyl]-methylamino]propanoic acid?
The InChIKey is FAEMWYONOQPIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-7(12)11(3)6-8(13)10(2)5-4-9(14)15/h4-6H2,1-3H3,(H,14,15).
What are the key properties of 3-[[2-[acetyl(methyl)amino]acetyl]-methylamino]propanoic acid?
3-[[2-[acetyl(methyl)amino]acetyl]-methylamino]propanoic acid has a molecular weight of 216.24 g/mol, XLogP of -0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[acetyl(methyl)amino]acetyl]-methylamino]propanoic acid is sourced from PubChem (CID 60989976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).