2-(2-aminoethylamino)ethanol;butanoic acid

C20H44N2O9 — CID 161214236

IUPAC2-(2-aminoethylamino)ethanol;butanoic acid
SMILESCCCC(=O)O.CCCC(=O)O.CCCC(=O)O.CCCC(=O)O.NCCNCCO
InChIInChI=1S/C4H12N2O.4C4H8O2/c5-1-2-6-3-4-7;4*1-2-3-4(5)6/h6-7H,1-5H2;4*2-3H2,1H3,(H,5,6)
InChIKeyUWQITMBLUBYMQH-UHFFFAOYSA-N
MW456.58 g/mol
LogP2.01
Rot. Bonds12

About 2-(2-aminoethylamino)ethanol;butanoic acid

2-(2-aminoethylamino)ethanol;butanoic acid (PubChem CID 161214236) has the molecular formula C20H44N2O9 and a molecular weight of 456.58 g/mol. Its IUPAC name is 2-(2-aminoethylamino)ethanol;butanoic acid.

Molecular Properties

Compound Name2-(2-aminoethylamino)ethanol;butanoic acid
PubChem CID161214236
Molecular FormulaC20H44N2O9
Molecular Weight456.58 g/mol
Exact Mass456.30
IUPAC Name2-(2-aminoethylamino)ethanol;butanoic acid
SMILESCCCC(=O)O.CCCC(=O)O.CCCC(=O)O.CCCC(=O)O.NCCNCCO
InChIInChI=1S/C4H12N2O.4C4H8O2/c5-1-2-6-3-4-7;4*1-2-3-4(5)6/h6-7H,1-5H2;4*2-3H2,1H3,(H,5,6)
InChIKeyUWQITMBLUBYMQH-UHFFFAOYSA-N
XLogP2.01
TPSA207.48 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.58
LogP ≤ 52.01
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-aminoethyl)ethane-1,2-diamine;pentanoic acid
CID 160545758
acetic acid;2-(2-aminoethylamino)ethanol
CID 87485806
CID 173081890
CID 173081890
N'-(2-aminoethyl)ethane-1,2-diamine;bis(butanedioic acid)
CID 87573177
2-(2-hydroxyethylamino)ethanol;3-(tetradecylamino)propanoic acid
CID 6455032
butane-1,4-diol;butanoic acid
CID 86642179
2-(2-hydroxyethylamino)ethanol;propanoic acid
CID 161172891
tris(2-(2-aminoethylamino)ethanol);titanium
CID 172707183
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-(2-hydroxyethylamino)ethanol
CID 19827531
3-(4-aminobutylamino)propan-1-ol;nonanoic acid
CID 173173986
magnesium;bis(4-aminobutanoic acid);butanoic acid
CID 11956325
trisodium;2-(2-aminoethylamino)ethanol;triacetate;hydrate
CID 172795947

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)ethanol;butanoic acid?
The IUPAC name of 2-(2-aminoethylamino)ethanol;butanoic acid (CID 161214236) is 2-(2-aminoethylamino)ethanol;butanoic acid.
What is the SMILES notation for 2-(2-aminoethylamino)ethanol;butanoic acid?
The canonical SMILES for 2-(2-aminoethylamino)ethanol;butanoic acid is CCCC(=O)O.CCCC(=O)O.CCCC(=O)O.CCCC(=O)O.NCCNCCO.
What is the InChIKey of 2-(2-aminoethylamino)ethanol;butanoic acid?
The InChIKey is UWQITMBLUBYMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O.4C4H8O2/c5-1-2-6-3-4-7;4*1-2-3-4(5)6/h6-7H,1-5H2;4*2-3H2,1H3,(H,5,6).
What are the key properties of 2-(2-aminoethylamino)ethanol;butanoic acid?
2-(2-aminoethylamino)ethanol;butanoic acid has a molecular weight of 456.58 g/mol, XLogP of 2.01, 12 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)ethanol;butanoic acid is sourced from PubChem (CID 161214236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).