2-acetamido-3-[2-methoxyethyl(3-methoxypropyl)amino]propanoic acid

C12H24N2O5 — CID 64582514

IUPAC2-acetamido-3-[2-methoxyethyl(3-methoxypropyl)amino]propanoic acid
SMILESCOCCCN(CCOC)CC(NC(C)=O)C(=O)O
InChIInChI=1S/C12H24N2O5/c1-10(15)13-11(12(16)17)9-14(6-8-19-3)5-4-7-18-2/h11H,4-9H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyKMJFZAFVAJZSAL-UHFFFAOYSA-N
MW276.33 g/mol
LogP-0.44
Rot. Bonds11

About 2-acetamido-3-[2-methoxyethyl(3-methoxypropyl)amino]propanoic acid

2-acetamido-3-[2-methoxyethyl(3-methoxypropyl)amino]propanoic acid (PubChem CID 64582514) has the molecular formula C12H24N2O5 and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-acetamido-3-[2-methoxyethyl(3-methoxypropyl)amino]propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-[2-methoxyethyl(3-methoxypropyl)amino]propanoic acid
PubChem CID64582514
Molecular FormulaC12H24N2O5
Molecular Weight276.33 g/mol
Exact Mass276.17
IUPAC Name2-acetamido-3-[2-methoxyethyl(3-methoxypropyl)amino]propanoic acid
SMILESCOCCCN(CCOC)CC(NC(C)=O)C(=O)O
InChIInChI=1S/C12H24N2O5/c1-10(15)13-11(12(16)17)9-14(6-8-19-3)5-4-7-18-2/h11H,4-9H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyKMJFZAFVAJZSAL-UHFFFAOYSA-N
XLogP-0.44
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-acetamido-3-[ethyl(2-methoxyethyl)amino]propanoic acid
CID 64580938
methyl 3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpropanoate
CID 54989932
methyl 2-acetamido-3-[ethyl(2-methoxyethyl)amino]propanoate
CID 65475175
3-[bis(2-methoxyethyl)amino]-2-methylpropanoic acid
CID 61418249
2-acetamido-3-[bis(2-methylpropyl)amino]propanoic acid
CID 64582308
3-[carboxymethyl(3-methoxypropyl)amino]-2-methylpropanoic acid
CID 82327474
methyl 3-[bis(2-methoxyethyl)amino]-2-methylpropanoate
CID 60649296
5-[2-methoxyethyl(3-methoxypropyl)amino]pentanoic acid
CID 55137663
1-(2-methoxyethoxy)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-2-ol
CID 106991901
3-[2-methoxyethyl(2-oxopropyl)amino]-2-methylpropanoic acid
CID 82329181
(2S)-3-hydroxy-2-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid
CID 62996884
3-[3-methoxypropyl(methyl)amino]-2-(propan-2-ylamino)propanoic acid
CID 63009526

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-[2-methoxyethyl(3-methoxypropyl)amino]propanoic acid?
The IUPAC name of 2-acetamido-3-[2-methoxyethyl(3-methoxypropyl)amino]propanoic acid (CID 64582514) is 2-acetamido-3-[2-methoxyethyl(3-methoxypropyl)amino]propanoic acid.
What is the SMILES notation for 2-acetamido-3-[2-methoxyethyl(3-methoxypropyl)amino]propanoic acid?
The canonical SMILES for 2-acetamido-3-[2-methoxyethyl(3-methoxypropyl)amino]propanoic acid is COCCCN(CCOC)CC(NC(C)=O)C(=O)O.
What is the InChIKey of 2-acetamido-3-[2-methoxyethyl(3-methoxypropyl)amino]propanoic acid?
The InChIKey is KMJFZAFVAJZSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5/c1-10(15)13-11(12(16)17)9-14(6-8-19-3)5-4-7-18-2/h11H,4-9H2,1-3H3,(H,13,15)(H,16,17).
What are the key properties of 2-acetamido-3-[2-methoxyethyl(3-methoxypropyl)amino]propanoic acid?
2-acetamido-3-[2-methoxyethyl(3-methoxypropyl)amino]propanoic acid has a molecular weight of 276.33 g/mol, XLogP of -0.44, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-[2-methoxyethyl(3-methoxypropyl)amino]propanoic acid is sourced from PubChem (CID 64582514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).