2-[[2-(2-aminoethoxy)acetyl]amino]-2-methylpentanoic acid

C10H20N2O4 — CID 79473096

IUPAC2-[[2-(2-aminoethoxy)acetyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)COCCN)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-3-4-10(2,9(14)15)12-8(13)7-16-6-5-11/h3-7,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyZCVGOLOPAPUDFX-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.28
Rot. Bonds8

About 2-[[2-(2-aminoethoxy)acetyl]amino]-2-methylpentanoic acid

2-[[2-(2-aminoethoxy)acetyl]amino]-2-methylpentanoic acid (PubChem CID 79473096) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[[2-(2-aminoethoxy)acetyl]amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[[2-(2-aminoethoxy)acetyl]amino]-2-methylpentanoic acid
PubChem CID79473096
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2-[[2-(2-aminoethoxy)acetyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)COCCN)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-3-4-10(2,9(14)15)12-8(13)7-16-6-5-11/h3-7,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyZCVGOLOPAPUDFX-UHFFFAOYSA-N
XLogP-0.28
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
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

2-[(2-aminoacetyl)amino]-2-methylpentanoic acid
CID 61159879
2-(4-aminobutanoylamino)-2-methylpentanoic acid
CID 61159882
2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-methylpentanoic acid
CID 65291968
2-methyl-2-(3-propoxypropanoylamino)pentanoic acid
CID 55104107
2-(7-aminoheptanoylamino)-2-methylpentanoic acid
CID 61161031
3-[[2-(2-aminoethoxy)acetyl]amino]-3-methylbutanoic acid
CID 79478702
2-(2-aminoethoxy)-N-ethylacetamide
CID 62343422
2-[[2-(tert-butylamino)acetyl]amino]-2-methylpentanoic acid
CID 79256791
(2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 39870673
(2R)-2-methyl-2-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pentanoic acid
CID 97233797
2-methyl-2-(3-propan-2-yloxypropanoylamino)pentanoic acid
CID 119191930
2-[(2-butoxyacetyl)amino]-2-methylpropanoic acid
CID 119187574

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-aminoethoxy)acetyl]amino]-2-methylpentanoic acid?
The IUPAC name of 2-[[2-(2-aminoethoxy)acetyl]amino]-2-methylpentanoic acid (CID 79473096) is 2-[[2-(2-aminoethoxy)acetyl]amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[[2-(2-aminoethoxy)acetyl]amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[[2-(2-aminoethoxy)acetyl]amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)COCCN)C(=O)O.
What is the InChIKey of 2-[[2-(2-aminoethoxy)acetyl]amino]-2-methylpentanoic acid?
The InChIKey is ZCVGOLOPAPUDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-3-4-10(2,9(14)15)12-8(13)7-16-6-5-11/h3-7,11H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-[[2-(2-aminoethoxy)acetyl]amino]-2-methylpentanoic acid?
2-[[2-(2-aminoethoxy)acetyl]amino]-2-methylpentanoic acid has a molecular weight of 232.28 g/mol, XLogP of -0.28, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-aminoethoxy)acetyl]amino]-2-methylpentanoic acid is sourced from PubChem (CID 79473096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).