3-[3-(diethylamino)propyl-(2-methylprop-2-enyl)amino]propanoic acid

C14H28N2O2 — CID 82329754

IUPAC3-[3-(diethylamino)propyl-(2-methylprop-2-enyl)amino]propanoic acid
SMILESC=C(C)CN(CCCN(CC)CC)CCC(=O)O
InChIInChI=1S/C14H28N2O2/c1-5-15(6-2)9-7-10-16(12-13(3)4)11-8-14(17)18/h3,5-12H2,1-2,4H3,(H,17,18)
InChIKeyQHXMQQBNIHMUMB-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.07
Rot. Bonds11

About 3-[3-(diethylamino)propyl-(2-methylprop-2-enyl)amino]propanoic acid

3-[3-(diethylamino)propyl-(2-methylprop-2-enyl)amino]propanoic acid (PubChem CID 82329754) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-[3-(diethylamino)propyl-(2-methylprop-2-enyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[3-(diethylamino)propyl-(2-methylprop-2-enyl)amino]propanoic acid
PubChem CID82329754
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-[3-(diethylamino)propyl-(2-methylprop-2-enyl)amino]propanoic acid
SMILESC=C(C)CN(CCCN(CC)CC)CCC(=O)O
InChIInChI=1S/C14H28N2O2/c1-5-15(6-2)9-7-10-16(12-13(3)4)11-8-14(17)18/h3,5-12H2,1-2,4H3,(H,17,18)
InChIKeyQHXMQQBNIHMUMB-UHFFFAOYSA-N
XLogP2.07
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[carboxymethyl(2-methylprop-2-enyl)amino]propanoic acid
CID 82329721
3-[ethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid
CID 61009237
2-[ethyl(2-methylprop-2-enyl)amino]acetic acid
CID 60712574
4-[2-carboxyethyl(ethyl)amino]butanoic acid
CID 82330570
3-[2-(diethylamino)ethyl-[3-(dimethylamino)propyl]amino]propanoic acid
CID 82330394
1-(diethylamino)-5-methylhex-5-en-3-one
CID 79180161
3-[dodecyl(ethyl)amino]propanoic acid
CID 62065544
3-[ethyl(hexadecyl)amino]propanoic acid
CID 58963935
3-[3-(diethylamino)propyl-methylsulfonylamino]propanoic acid
CID 82326345
4-(diethylamino)-2-methylidenebutanoic acid;5-(diethylamino)-2-methylidenepentanoic acid
CID 87949068
3-[4-(diethylamino)butyl-pentanoylamino]propanoic acid
CID 82323531
N-[3-(diethylamino)propyl]-N-ethylacetamide
CID 102998319

Frequently Asked Questions

What is the IUPAC name of 3-[3-(diethylamino)propyl-(2-methylprop-2-enyl)amino]propanoic acid?
The IUPAC name of 3-[3-(diethylamino)propyl-(2-methylprop-2-enyl)amino]propanoic acid (CID 82329754) is 3-[3-(diethylamino)propyl-(2-methylprop-2-enyl)amino]propanoic acid.
What is the SMILES notation for 3-[3-(diethylamino)propyl-(2-methylprop-2-enyl)amino]propanoic acid?
The canonical SMILES for 3-[3-(diethylamino)propyl-(2-methylprop-2-enyl)amino]propanoic acid is C=C(C)CN(CCCN(CC)CC)CCC(=O)O.
What is the InChIKey of 3-[3-(diethylamino)propyl-(2-methylprop-2-enyl)amino]propanoic acid?
The InChIKey is QHXMQQBNIHMUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-15(6-2)9-7-10-16(12-13(3)4)11-8-14(17)18/h3,5-12H2,1-2,4H3,(H,17,18).
What are the key properties of 3-[3-(diethylamino)propyl-(2-methylprop-2-enyl)amino]propanoic acid?
3-[3-(diethylamino)propyl-(2-methylprop-2-enyl)amino]propanoic acid has a molecular weight of 256.39 g/mol, XLogP of 2.07, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(diethylamino)propyl-(2-methylprop-2-enyl)amino]propanoic acid is sourced from PubChem (CID 82329754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).