3-[2-ethoxyethyl-[3-(2-methylpropoxy)propanoyl]amino]-2-methylpropanoic acid

C15H29NO5 — CID 75383572

IUPAC3-[2-ethoxyethyl-[3-(2-methylpropoxy)propanoyl]amino]-2-methylpropanoic acid
SMILESCCOCCN(CC(C)C(=O)O)C(=O)CCOCC(C)C
InChIInChI=1S/C15H29NO5/c1-5-20-9-7-16(10-13(4)15(18)19)14(17)6-8-21-11-12(2)3/h12-13H,5-11H2,1-4H3,(H,18,19)
InChIKeyQKGABIFAVSHENE-UHFFFAOYSA-N
MW303.40 g/mol
LogP1.63
Rot. Bonds12

About 3-[2-ethoxyethyl-[3-(2-methylpropoxy)propanoyl]amino]-2-methylpropanoic acid

3-[2-ethoxyethyl-[3-(2-methylpropoxy)propanoyl]amino]-2-methylpropanoic acid (PubChem CID 75383572) has the molecular formula C15H29NO5 and a molecular weight of 303.40 g/mol. Its IUPAC name is 3-[2-ethoxyethyl-[3-(2-methylpropoxy)propanoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2-ethoxyethyl-[3-(2-methylpropoxy)propanoyl]amino]-2-methylpropanoic acid
PubChem CID75383572
Molecular FormulaC15H29NO5
Molecular Weight303.40 g/mol
Exact Mass303.20
IUPAC Name3-[2-ethoxyethyl-[3-(2-methylpropoxy)propanoyl]amino]-2-methylpropanoic acid
SMILESCCOCCN(CC(C)C(=O)O)C(=O)CCOCC(C)C
InChIInChI=1S/C15H29NO5/c1-5-20-9-7-16(10-13(4)15(18)19)14(17)6-8-21-11-12(2)3/h12-13H,5-11H2,1-4H3,(H,18,19)
InChIKeyQKGABIFAVSHENE-UHFFFAOYSA-N
XLogP1.63
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[acetyl(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 82323212
3-[3-ethoxypropyl-(2-methoxyacetyl)amino]-2-methylpropanoic acid
CID 82325749
3-[butanoyl(2-hydroxyethyl)amino]-2-methylpropanoic acid
CID 82323422
3-[bis(2-ethoxyethyl)carbamoylamino]-2-methylpropanoic acid
CID 82960063
3-[butanoyl-[2-(dimethylamino)ethyl]amino]-2-methylpropanoic acid
CID 82323472
3-[2-carboxyethyl(propanoyl)amino]-2-methylpropanoic acid
CID 82323339
3-[3-(2-methoxyethoxy)propanoyl-methylamino]-2-methylpropanoic acid
CID 119228574
3-(2-methylpropoxy)propanoic acid
CID 15033462
3-[3-ethoxypropyl(propyl)amino]-2-methylpropanoic acid
CID 82328136
3-[butyl(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 82328233
3-[(2-amino-2-oxoethyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 82326833
3-(2-methylpropoxy)-N-propan-2-ylpropanehydrazide
CID 139340946

Frequently Asked Questions

What is the IUPAC name of 3-[2-ethoxyethyl-[3-(2-methylpropoxy)propanoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[2-ethoxyethyl-[3-(2-methylpropoxy)propanoyl]amino]-2-methylpropanoic acid (CID 75383572) is 3-[2-ethoxyethyl-[3-(2-methylpropoxy)propanoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2-ethoxyethyl-[3-(2-methylpropoxy)propanoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[2-ethoxyethyl-[3-(2-methylpropoxy)propanoyl]amino]-2-methylpropanoic acid is CCOCCN(CC(C)C(=O)O)C(=O)CCOCC(C)C.
What is the InChIKey of 3-[2-ethoxyethyl-[3-(2-methylpropoxy)propanoyl]amino]-2-methylpropanoic acid?
The InChIKey is QKGABIFAVSHENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO5/c1-5-20-9-7-16(10-13(4)15(18)19)14(17)6-8-21-11-12(2)3/h12-13H,5-11H2,1-4H3,(H,18,19).
What are the key properties of 3-[2-ethoxyethyl-[3-(2-methylpropoxy)propanoyl]amino]-2-methylpropanoic acid?
3-[2-ethoxyethyl-[3-(2-methylpropoxy)propanoyl]amino]-2-methylpropanoic acid has a molecular weight of 303.40 g/mol, XLogP of 1.63, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethoxyethyl-[3-(2-methylpropoxy)propanoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 75383572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).