2-[2-[(3-amino-2-methylpropanoyl)amino]ethoxy]acetic acid

C8H16N2O4 — CID 79457207

IUPAC2-[2-[(3-amino-2-methylpropanoyl)amino]ethoxy]acetic acid
SMILESCC(CN)C(=O)NCCOCC(=O)O
InChIInChI=1S/C8H16N2O4/c1-6(4-9)8(13)10-2-3-14-5-7(11)12/h6H,2-5,9H2,1H3,(H,10,13)(H,11,12)
InChIKeyBWVAWTLOWQCDLH-UHFFFAOYSA-N
MW204.23 g/mol
LogP-1.20
Rot. Bonds7

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

2-[2-[(3-amino-2-methylpropanoyl)amino]ethoxy]acetic acid (PubChem CID 79457207) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-[2-[(3-amino-2-methylpropanoyl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-amino-2-methylpropanoyl)amino]ethoxy]acetic acid
PubChem CID79457207
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name2-[2-[(3-amino-2-methylpropanoyl)amino]ethoxy]acetic acid
SMILESCC(CN)C(=O)NCCOCC(=O)O
InChIInChI=1S/C8H16N2O4/c1-6(4-9)8(13)10-2-3-14-5-7(11)12/h6H,2-5,9H2,1H3,(H,10,13)(H,11,12)
InChIKeyBWVAWTLOWQCDLH-UHFFFAOYSA-N
XLogP-1.20
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-1.20
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-(2-amino-2-oxoethoxy)ethyl]-2-methylpropanamide
CID 106235091
2-[2-[2-(2-methylpentanoylamino)ethoxy]ethoxy]acetic acid
CID 165351114
2-[2-[[(2S)-2-amino-3-methylbutanoyl]amino]ethoxy]acetic acid
CID 79457033
2-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethoxy]acetic acid
CID 79457211
2-[2-(2,3-dimethylbutanoylamino)ethoxy]acetic acid
CID 79456707
2-[2-[2-(3-methylbutoxy)ethylcarbamoylamino]ethoxy]acetic acid
CID 79463945
2-[2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]ethoxy]acetic acid
CID 103930180
2-[2-[(2-amino-4-methoxybutanoyl)amino]ethoxy]acetic acid
CID 79456586
3-amino-N-(2-hydroxyethyl)-2-methylpropanamide
CID 54555473
2-[2-[(3-amino-2,2-dimethylpropanoyl)amino]ethoxy]acetic acid
CID 115426845
2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]ethoxy]acetic acid
CID 79463151
2-[2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]ethoxy]acetic acid
CID 104908717

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-amino-2-methylpropanoyl)amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(3-amino-2-methylpropanoyl)amino]ethoxy]acetic acid (CID 79457207) is 2-[2-[(3-amino-2-methylpropanoyl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(3-amino-2-methylpropanoyl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(3-amino-2-methylpropanoyl)amino]ethoxy]acetic acid is CC(CN)C(=O)NCCOCC(=O)O.
What is the InChIKey of 2-[2-[(3-amino-2-methylpropanoyl)amino]ethoxy]acetic acid?
The InChIKey is BWVAWTLOWQCDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-6(4-9)8(13)10-2-3-14-5-7(11)12/h6H,2-5,9H2,1H3,(H,10,13)(H,11,12).
What are the key properties of 2-[2-[(3-amino-2-methylpropanoyl)amino]ethoxy]acetic acid?
2-[2-[(3-amino-2-methylpropanoyl)amino]ethoxy]acetic acid has a molecular weight of 204.23 g/mol, XLogP of -1.20, 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-methylpropanoyl)amino]ethoxy]acetic acid is sourced from PubChem (CID 79457207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).