2-[[2-(2-methoxyethylamino)acetyl]-(2-methylpropyl)amino]acetic acid

C11H22N2O4 — CID 79281112

IUPAC2-[[2-(2-methoxyethylamino)acetyl]-(2-methylpropyl)amino]acetic acid
SMILESCOCCNCC(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C11H22N2O4/c1-9(2)7-13(8-11(15)16)10(14)6-12-4-5-17-3/h9,12H,4-8H2,1-3H3,(H,15,16)
InChIKeyPVIHJKSWUZNOGK-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.21
Rot. Bonds9

About 2-[[2-(2-methoxyethylamino)acetyl]-(2-methylpropyl)amino]acetic acid

2-[[2-(2-methoxyethylamino)acetyl]-(2-methylpropyl)amino]acetic acid (PubChem CID 79281112) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[[2-(2-methoxyethylamino)acetyl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-methoxyethylamino)acetyl]-(2-methylpropyl)amino]acetic acid
PubChem CID79281112
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name2-[[2-(2-methoxyethylamino)acetyl]-(2-methylpropyl)amino]acetic acid
SMILESCOCCNCC(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C11H22N2O4/c1-9(2)7-13(8-11(15)16)10(14)6-12-4-5-17-3/h9,12H,4-8H2,1-3H3,(H,15,16)
InChIKeyPVIHJKSWUZNOGK-UHFFFAOYSA-N
XLogP-0.21
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(2-methoxyethylamino)-N-(2-methylpropyl)acetamide;hydrochloride
CID 119732327
3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]amino]propanoic acid
CID 43466543
N-butan-2-yl-N-ethyl-2-(2-methoxyethylamino)acetamide
CID 79281144
2-[3-methylbutanoyl(2-methylpropyl)amino]acetic acid
CID 62033717
2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63066155
2-[2-methylpropyl-[4-(propan-2-ylamino)butanoyl]amino]acetic acid
CID 63064871
3-[[2-(2-methoxyethylamino)acetyl]-methylamino]propanoic acid
CID 79282817
methyl 3-[[2-(2-methoxyethylamino)acetyl]-methylamino]-2-methylpropanoate
CID 79282082
N-cyclopropyl-2-(2-methoxyethylamino)-N-(3-methylbutyl)acetamide
CID 79282070
2-[2-methylpropyl(4-phenoxybutanoyl)amino]acetic acid
CID 62033173
2-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]acetic acid
CID 55148404
2-[[5-(diethylamino)-5-oxopentanoyl]-(2-methylpropyl)amino]acetic acid
CID 119193017

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxyethylamino)acetyl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[2-(2-methoxyethylamino)acetyl]-(2-methylpropyl)amino]acetic acid (CID 79281112) is 2-[[2-(2-methoxyethylamino)acetyl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(2-methoxyethylamino)acetyl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(2-methoxyethylamino)acetyl]-(2-methylpropyl)amino]acetic acid is COCCNCC(=O)N(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[[2-(2-methoxyethylamino)acetyl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is PVIHJKSWUZNOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-9(2)7-13(8-11(15)16)10(14)6-12-4-5-17-3/h9,12H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 2-[[2-(2-methoxyethylamino)acetyl]-(2-methylpropyl)amino]acetic acid?
2-[[2-(2-methoxyethylamino)acetyl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 246.31 g/mol, XLogP of -0.21, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxyethylamino)acetyl]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 79281112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).