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

C10H20N2O4 — CID 79457211

IUPAC2-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethoxy]acetic acid
SMILESCCNCC(C)C(=O)NCCOCC(=O)O
InChIInChI=1S/C10H20N2O4/c1-3-11-6-8(2)10(15)12-4-5-16-7-9(13)14/h8,11H,3-7H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyPYFGTRHXOOWXFF-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.55
Rot. Bonds9

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

2-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethoxy]acetic acid (PubChem CID 79457211) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethoxy]acetic acid
PubChem CID79457211
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethoxy]acetic acid
SMILESCCNCC(C)C(=O)NCCOCC(=O)O
InChIInChI=1S/C10H20N2O4/c1-3-11-6-8(2)10(15)12-4-5-16-7-9(13)14/h8,11H,3-7H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyPYFGTRHXOOWXFF-UHFFFAOYSA-N
XLogP-0.55
TPSA87.66 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 ≤ 5-0.55
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

N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 106236540
2-[2-[(3-amino-2-methylpropanoyl)amino]ethoxy]acetic acid
CID 79457207
2-[2-[2-(2-methylpentanoylamino)ethoxy]ethoxy]acetic acid
CID 165351114
2-[2-(2,3-dimethylbutanoylamino)ethoxy]acetic acid
CID 79456707
2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]ethoxy]acetic acid
CID 79463151
2-[2-[[(2S)-2-amino-3-methylbutanoyl]amino]ethoxy]acetic acid
CID 79457033
3-(ethylamino)-2-methyl-N-(2-methylpropyl)propanamide
CID 62853586
N-(2-cyclopentyloxyethyl)-3-(ethylamino)-2-methylpropanamide
CID 63828827
4-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxybutanoic acid
CID 107836168
2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 163401188
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethoxy]acetic acid (CID 79457211) is 2-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethoxy]acetic acid is CCNCC(C)C(=O)NCCOCC(=O)O.
What is the InChIKey of 2-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethoxy]acetic acid?
The InChIKey is PYFGTRHXOOWXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-3-11-6-8(2)10(15)12-4-5-16-7-9(13)14/h8,11H,3-7H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 2-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethoxy]acetic acid?
2-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethoxy]acetic acid has a molecular weight of 232.28 g/mol, XLogP of -0.55, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethoxy]acetic acid is sourced from PubChem (CID 79457211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).