3-[carboxymethyl(3-methoxypropyl)amino]-2-methylpropanoic acid

C10H19NO5 — CID 82327474

IUPAC3-[carboxymethyl(3-methoxypropyl)amino]-2-methylpropanoic acid
SMILESCOCCCN(CC(=O)O)CC(C)C(=O)O
InChIInChI=1S/C10H19NO5/c1-8(10(14)15)6-11(7-9(12)13)4-3-5-16-2/h8H,3-7H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyDZVSPNTXGGUDEM-UHFFFAOYSA-N
MW233.26 g/mol
LogP0.13
Rot. Bonds9

About 3-[carboxymethyl(3-methoxypropyl)amino]-2-methylpropanoic acid

3-[carboxymethyl(3-methoxypropyl)amino]-2-methylpropanoic acid (PubChem CID 82327474) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is 3-[carboxymethyl(3-methoxypropyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[carboxymethyl(3-methoxypropyl)amino]-2-methylpropanoic acid
PubChem CID82327474
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name3-[carboxymethyl(3-methoxypropyl)amino]-2-methylpropanoic acid
SMILESCOCCCN(CC(=O)O)CC(C)C(=O)O
InChIInChI=1S/C10H19NO5/c1-8(10(14)15)6-11(7-9(12)13)4-3-5-16-2/h8H,3-7H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyDZVSPNTXGGUDEM-UHFFFAOYSA-N
XLogP0.13
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[ethyl(4-methoxybutyl)amino]-2-methylpropanoic acid
CID 104648447
3-[3-methoxypropyl(prop-2-ynyl)amino]-2-methylpropanoic acid
CID 82330702
3-[carboxymethyl(pentyl)amino]-2-methylpropanoic acid
CID 82328302
3-[bis(2-methoxyethyl)amino]-2-methylpropanoic acid
CID 61418249
3-[2-methoxyethyl(2-oxopropyl)amino]-2-methylpropanoic acid
CID 82329181
3-[(2-amino-2-oxoethyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 82326833
methyl 3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpropanoate
CID 54989932
3-[5-methoxypentanoyl(methyl)amino]-2-methylpropanoic acid
CID 115731246
3-[2-methoxyethyl(phenacyl)amino]-2-methylpropanoic acid
CID 82329885
3-[3-ethoxypropyl(propyl)amino]-2-methylpropanoic acid
CID 82328136
3-[butyl(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 82328233
3-[2-carboxyethyl(3-carboxypropyl)amino]-2-methylpropanoic acid
CID 82330638

Frequently Asked Questions

What is the IUPAC name of 3-[carboxymethyl(3-methoxypropyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[carboxymethyl(3-methoxypropyl)amino]-2-methylpropanoic acid (CID 82327474) is 3-[carboxymethyl(3-methoxypropyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[carboxymethyl(3-methoxypropyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[carboxymethyl(3-methoxypropyl)amino]-2-methylpropanoic acid is COCCCN(CC(=O)O)CC(C)C(=O)O.
What is the InChIKey of 3-[carboxymethyl(3-methoxypropyl)amino]-2-methylpropanoic acid?
The InChIKey is DZVSPNTXGGUDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5/c1-8(10(14)15)6-11(7-9(12)13)4-3-5-16-2/h8H,3-7H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 3-[carboxymethyl(3-methoxypropyl)amino]-2-methylpropanoic acid?
3-[carboxymethyl(3-methoxypropyl)amino]-2-methylpropanoic acid has a molecular weight of 233.26 g/mol, XLogP of 0.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[carboxymethyl(3-methoxypropyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82327474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).