3-[2-(diethylamino)ethylamino]propanoic acid

C9H20N2O2 — CID 28830296

IUPAC3-[2-(diethylamino)ethylamino]propanoic acid
SMILESCCN(CC)CCNCCC(=O)O
InChIInChI=1S/C9H20N2O2/c1-3-11(4-2)8-7-10-6-5-9(12)13/h10H,3-8H2,1-2H3,(H,12,13)
InChIKeySHAIMCKVUQHCJP-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.39
Rot. Bonds8

About 3-[2-(diethylamino)ethylamino]propanoic acid

3-[2-(diethylamino)ethylamino]propanoic acid (PubChem CID 28830296) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[2-(diethylamino)ethylamino]propanoic acid
PubChem CID28830296
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name3-[2-(diethylamino)ethylamino]propanoic acid
SMILESCCN(CC)CCNCCC(=O)O
InChIInChI=1S/C9H20N2O2/c1-3-11(4-2)8-7-10-6-5-9(12)13/h10H,3-8H2,1-2H3,(H,12,13)
InChIKeySHAIMCKVUQHCJP-UHFFFAOYSA-N
XLogP0.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-[ethyl(2-hydroxysulfanylethyl)amino]ethylamino]ethylamino]propanoic acid
CID 145415847
3-[2-[butyl(2-carboxyethyl)amino]ethylamino]propanoic acid
CID 18730704
ethane;3-(propylamino)propanoic acid
CID 145416081
3-[2-[bis(2-methoxyethyl)amino]ethylamino]propanoic acid
CID 166790089
3-[2-[2-[2-[2-[2-[2-(2-carboxyethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]propanoic acid
CID 88924082
3-[2-[2-[propyl(2-sulfinoethyl)amino]ethylamino]ethylamino]propanoic acid
CID 145415868
N-cyclopropyl-3-[2-(diethylamino)ethylamino]propanamide
CID 62627556
N-decyl-N',N'-diethylpropane-1,3-diamine;octadecanoic acid
CID 157321118
2-[2-[carboxymethyl-[2-[carboxymethyl(ethyl)amino]ethyl]amino]ethylamino]acetic acid
CID 89045001
3-(carboxymethylamino)propanoic acid;ethane
CID 143762125
acetic acid;N',N'-diethyl-N-(3-trihydroxysilylpropyl)ethane-1,2-diamine;palladium
CID 139211644
2-[2-[carboxymethyl-[2-[carboxymethyl-[2-(ethylamino)ethyl]amino]ethyl]amino]ethyl-ethylamino]acetic acid
CID 175812978

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethylamino]propanoic acid?
The IUPAC name of 3-[2-(diethylamino)ethylamino]propanoic acid (CID 28830296) is 3-[2-(diethylamino)ethylamino]propanoic acid.
What is the SMILES notation for 3-[2-(diethylamino)ethylamino]propanoic acid?
The canonical SMILES for 3-[2-(diethylamino)ethylamino]propanoic acid is CCN(CC)CCNCCC(=O)O.
What is the InChIKey of 3-[2-(diethylamino)ethylamino]propanoic acid?
The InChIKey is SHAIMCKVUQHCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-3-11(4-2)8-7-10-6-5-9(12)13/h10H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 3-[2-(diethylamino)ethylamino]propanoic acid?
3-[2-(diethylamino)ethylamino]propanoic acid has a molecular weight of 188.27 g/mol, XLogP of 0.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethylamino]propanoic acid is sourced from PubChem (CID 28830296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).