2-[ethyl-[2-[ethyl(2-oxopropyl)amino]ethyl]amino]acetic acid

C11H22N2O3 — CID 134601961

IUPAC2-[ethyl-[2-[ethyl(2-oxopropyl)amino]ethyl]amino]acetic acid
SMILESCCN(CCN(CC)CC(=O)O)CC(C)=O
InChIInChI=1S/C11H22N2O3/c1-4-12(8-10(3)14)6-7-13(5-2)9-11(15)16/h4-9H2,1-3H3,(H,15,16)
InChIKeyXSCBKQMSSBCBIO-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.30
Rot. Bonds9

About 2-[ethyl-[2-[ethyl(2-oxopropyl)amino]ethyl]amino]acetic acid

2-[ethyl-[2-[ethyl(2-oxopropyl)amino]ethyl]amino]acetic acid (PubChem CID 134601961) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[ethyl-[2-[ethyl(2-oxopropyl)amino]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[2-[ethyl(2-oxopropyl)amino]ethyl]amino]acetic acid
PubChem CID134601961
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[ethyl-[2-[ethyl(2-oxopropyl)amino]ethyl]amino]acetic acid
SMILESCCN(CCN(CC)CC(=O)O)CC(C)=O
InChIInChI=1S/C11H22N2O3/c1-4-12(8-10(3)14)6-7-13(5-2)9-11(15)16/h4-9H2,1-3H3,(H,15,16)
InChIKeyXSCBKQMSSBCBIO-UHFFFAOYSA-N
XLogP0.30
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[ethyl-[2-[ethyl(2-oxopropyl)amino]ethyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium;2-[2-[bis(2-oxopropyl)amino]ethyl-(carboxymethyl)amino]acetic acid;iron(2+)
CID 25052150
ethane;2-[ethyl(propyl)amino]acetic acid
CID 143677754
2-[2-aminoethyl(ethyl)amino]acetic acid
CID 22667567
2-[2-[acetyl(carboxymethyl)amino]ethyl-(2-oxopropyl)amino]acetic acid
CID 91150054
2-[2-[carboxymethyl(2-oxoethyl)amino]ethyl-[2-[2-oxoethyl(2-oxopropyl)amino]ethyl]amino]acetic acid;ethane;propane
CID 171546032
2-[[2-[carboxymethyl-[2-[carboxymethyl(ethyl)amino]ethyl]amino]acetyl]-methylamino]acetic acid
CID 143021592
1-[ethyl(nonyl)amino]propan-2-one
CID 156818313
2-[2-[carboxymethyl-[2-[carboxymethyl-[2-(ethylamino)ethyl]amino]ethyl]amino]ethyl-ethylamino]acetic acid
CID 175812978
2-[2-[methyl(2-oxopropyl)amino]ethyl-propylamino]acetic acid
CID 156737158
2-[ethyl(2-methylprop-2-enyl)amino]acetic acid
CID 60712574
bis(4-[bis(carboxymethyl)amino]butanoic acid);2-[2-[carboxymethyl(ethyl)amino]ethyl-ethylamino]acetic acid;ethanamine
CID 173160493
2-[2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]ethyl-[2-[(2-ethoxy-2-oxoethyl)-ethylamino]ethyl]amino]acetic acid
CID 156509209

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-[ethyl(2-oxopropyl)amino]ethyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[2-[ethyl(2-oxopropyl)amino]ethyl]amino]acetic acid (CID 134601961) is 2-[ethyl-[2-[ethyl(2-oxopropyl)amino]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[2-[ethyl(2-oxopropyl)amino]ethyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[2-[ethyl(2-oxopropyl)amino]ethyl]amino]acetic acid is CCN(CCN(CC)CC(=O)O)CC(C)=O.
What is the InChIKey of 2-[ethyl-[2-[ethyl(2-oxopropyl)amino]ethyl]amino]acetic acid?
The InChIKey is XSCBKQMSSBCBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-12(8-10(3)14)6-7-13(5-2)9-11(15)16/h4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[ethyl-[2-[ethyl(2-oxopropyl)amino]ethyl]amino]acetic acid?
2-[ethyl-[2-[ethyl(2-oxopropyl)amino]ethyl]amino]acetic acid has a molecular weight of 230.31 g/mol, XLogP of 0.30, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-[ethyl(2-oxopropyl)amino]ethyl]amino]acetic acid is sourced from PubChem (CID 134601961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).