2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid

C12H24N2O5 — CID 79386395

IUPAC2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
SMILESCCN(CC(C)(C)O)C(=O)N(CCOC)CC(=O)O
InChIInChI=1S/C12H24N2O5/c1-5-13(9-12(2,3)18)11(17)14(6-7-19-4)8-10(15)16/h18H,5-9H2,1-4H3,(H,15,16)
InChIKeyYEUIVKIVGQLOBS-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.23
Rot. Bonds8

About 2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid

2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid (PubChem CID 79386395) has the molecular formula C12H24N2O5 and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
PubChem CID79386395
Molecular FormulaC12H24N2O5
Molecular Weight276.33 g/mol
Exact Mass276.17
IUPAC Name2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
SMILESCCN(CC(C)(C)O)C(=O)N(CCOC)CC(=O)O
InChIInChI=1S/C12H24N2O5/c1-5-13(9-12(2,3)18)11(17)14(6-7-19-4)8-10(15)16/h18H,5-9H2,1-4H3,(H,15,16)
InChIKeyYEUIVKIVGQLOBS-UHFFFAOYSA-N
XLogP0.23
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[ethyl(propyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79272261
2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272631
2-[bis(2-methoxyethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263711
2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79269680
2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 79385927
2-[butan-2-yl-[ethyl(2-methoxyethyl)carbamoyl]amino]acetic acid
CID 54948701
2-[[2-ethoxyethyl(ethyl)carbamoyl]-ethylamino]acetic acid
CID 63692727
5-[ethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62933567
3-[tert-butyl-[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]propanoic acid
CID 79386010
2-[carboxymethyl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid
CID 63645121
1-ethyl-1-(2-methoxyethyl)-3,3-dimethylurea
CID 115590966
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-methoxyethylsulfanyl)acetamide
CID 79381188

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid (CID 79386395) is 2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid is CCN(CC(C)(C)O)C(=O)N(CCOC)CC(=O)O.
What is the InChIKey of 2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid?
The InChIKey is YEUIVKIVGQLOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5/c1-5-13(9-12(2,3)18)11(17)14(6-7-19-4)8-10(15)16/h18H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid?
2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid has a molecular weight of 276.33 g/mol, XLogP of 0.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 79386395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).