5-[[2-(2-aminoethoxy)acetyl]amino]hexanoic acid

C10H20N2O4 — CID 82846274

IUPAC5-[[2-(2-aminoethoxy)acetyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)COCCN
InChIInChI=1S/C10H20N2O4/c1-8(3-2-4-10(14)15)12-9(13)7-16-6-5-11/h8H,2-7,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyQOBWSSBAVPBYOL-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.28
Rot. Bonds9

About 5-[[2-(2-aminoethoxy)acetyl]amino]hexanoic acid

5-[[2-(2-aminoethoxy)acetyl]amino]hexanoic acid (PubChem CID 82846274) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-[[2-(2-aminoethoxy)acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name5-[[2-(2-aminoethoxy)acetyl]amino]hexanoic acid
PubChem CID82846274
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name5-[[2-(2-aminoethoxy)acetyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)COCCN
InChIInChI=1S/C10H20N2O4/c1-8(3-2-4-10(14)15)12-9(13)7-16-6-5-11/h8H,2-7,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyQOBWSSBAVPBYOL-UHFFFAOYSA-N
XLogP-0.28
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-aminoacetyl)amino]hexanoic acid
CID 82846044
2-(2-aminoethoxy)-N-(4-methylsulfanylbutan-2-yl)acetamide
CID 115740075
2-[[2-(2-aminoethoxy)acetyl]amino]pentanedioic acid
CID 79473877
5-[(6-amino-4-methylhexanoyl)amino]hexanoic acid
CID 82847592
2-(2-aminoethoxy)-N-(1-cyanopropan-2-yl)acetamide
CID 79478469
5-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]hexanoic acid
CID 82847041
5-[[2-(2-aminoethoxy)acetyl]amino]pentanoic acid
CID 79479657
2-(2-aminoethoxy)-N-(1-ethylsulfanylpropan-2-yl)acetamide
CID 115739921
5-(ethoxycarbonylamino)hexanoic acid
CID 82855012
5-[[2-[(2-aminoacetyl)amino]acetyl]amino]hexanoic acid
CID 82847762
2-[[2-(2-aminoethoxy)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 82786420
2-[[2-(2-aminoethoxy)acetyl]amino]-N-methylpropanamide
CID 79478783

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-aminoethoxy)acetyl]amino]hexanoic acid?
The IUPAC name of 5-[[2-(2-aminoethoxy)acetyl]amino]hexanoic acid (CID 82846274) is 5-[[2-(2-aminoethoxy)acetyl]amino]hexanoic acid.
What is the SMILES notation for 5-[[2-(2-aminoethoxy)acetyl]amino]hexanoic acid?
The canonical SMILES for 5-[[2-(2-aminoethoxy)acetyl]amino]hexanoic acid is CC(CCCC(=O)O)NC(=O)COCCN.
What is the InChIKey of 5-[[2-(2-aminoethoxy)acetyl]amino]hexanoic acid?
The InChIKey is QOBWSSBAVPBYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-8(3-2-4-10(14)15)12-9(13)7-16-6-5-11/h8H,2-7,11H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 5-[[2-(2-aminoethoxy)acetyl]amino]hexanoic acid?
5-[[2-(2-aminoethoxy)acetyl]amino]hexanoic acid has a molecular weight of 232.28 g/mol, XLogP of -0.28, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-aminoethoxy)acetyl]amino]hexanoic acid is sourced from PubChem (CID 82846274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).