2-[2-[(3-amino-2,2-dimethylpropanoyl)amino]ethoxy]acetic acid

C9H18N2O4 — CID 115426845

IUPAC2-[2-[(3-amino-2,2-dimethylpropanoyl)amino]ethoxy]acetic acid
SMILESCC(C)(CN)C(=O)NCCOCC(=O)O
InChIInChI=1S/C9H18N2O4/c1-9(2,6-10)8(14)11-3-4-15-5-7(12)13/h3-6,10H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyNLWMEHZHBKGJKP-UHFFFAOYSA-N
MW218.25 g/mol
LogP-0.81
Rot. Bonds7

About 2-[2-[(3-amino-2,2-dimethylpropanoyl)amino]ethoxy]acetic acid

2-[2-[(3-amino-2,2-dimethylpropanoyl)amino]ethoxy]acetic acid (PubChem CID 115426845) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-[2-[(3-amino-2,2-dimethylpropanoyl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-amino-2,2-dimethylpropanoyl)amino]ethoxy]acetic acid
PubChem CID115426845
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name2-[2-[(3-amino-2,2-dimethylpropanoyl)amino]ethoxy]acetic acid
SMILESCC(C)(CN)C(=O)NCCOCC(=O)O
InChIInChI=1S/C9H18N2O4/c1-9(2,6-10)8(14)11-3-4-15-5-7(12)13/h3-6,10H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyNLWMEHZHBKGJKP-UHFFFAOYSA-N
XLogP-0.81
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.81
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

3-amino-N-[2-(cyclopropylmethoxy)ethyl]-2,2-dimethylpropanamide
CID 103809924
2-[2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]ethoxy]acetic acid
CID 103930180
2-[2-[(3-amino-2-methylpropanoyl)amino]ethoxy]acetic acid
CID 79457207
2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 11660330
ethane;2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]acetic acid
CID 142814707
methyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]propanoate
CID 81489476
2-[2-[[(2S)-2-amino-3-methylbutanoyl]amino]ethoxy]acetic acid
CID 79457033
3-amino-2,2-dimethyl-N-(3-propan-2-yloxypropyl)propanamide
CID 81484725
2-[2-[2-[2-[2-(carboxyamino)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 86346270
2-[2-(2,3-dimethylbutanoylamino)ethoxy]acetic acid
CID 79456707
2-[2-(5-aminopentanoylamino)ethoxy]acetic acid
CID 79457859
3-(2,2-dimethyl-3-oxopent-4-enoxy)-N-(2-ethoxyethyl)-2,2-dimethylpropanamide
CID 177062543

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-amino-2,2-dimethylpropanoyl)amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(3-amino-2,2-dimethylpropanoyl)amino]ethoxy]acetic acid (CID 115426845) is 2-[2-[(3-amino-2,2-dimethylpropanoyl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(3-amino-2,2-dimethylpropanoyl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(3-amino-2,2-dimethylpropanoyl)amino]ethoxy]acetic acid is CC(C)(CN)C(=O)NCCOCC(=O)O.
What is the InChIKey of 2-[2-[(3-amino-2,2-dimethylpropanoyl)amino]ethoxy]acetic acid?
The InChIKey is NLWMEHZHBKGJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-9(2,6-10)8(14)11-3-4-15-5-7(12)13/h3-6,10H2,1-2H3,(H,11,14)(H,12,13).
What are the key properties of 2-[2-[(3-amino-2,2-dimethylpropanoyl)amino]ethoxy]acetic acid?
2-[2-[(3-amino-2,2-dimethylpropanoyl)amino]ethoxy]acetic acid has a molecular weight of 218.25 g/mol, XLogP of -0.81, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-amino-2,2-dimethylpropanoyl)amino]ethoxy]acetic acid is sourced from PubChem (CID 115426845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).