2-[2-[[methyl(2-methylpropyl)carbamoyl]amino]ethoxy]acetic acid

C10H20N2O4 — CID 79463536

IUPAC2-[2-[[methyl(2-methylpropyl)carbamoyl]amino]ethoxy]acetic acid
SMILESCC(C)CN(C)C(=O)NCCOCC(=O)O
InChIInChI=1S/C10H20N2O4/c1-8(2)6-12(3)10(15)11-4-5-16-7-9(13)14/h8H,4-7H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyIDRAJBZGHRLVCO-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.38
Rot. Bonds7

About 2-[2-[[methyl(2-methylpropyl)carbamoyl]amino]ethoxy]acetic acid

2-[2-[[methyl(2-methylpropyl)carbamoyl]amino]ethoxy]acetic acid (PubChem CID 79463536) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[2-[[methyl(2-methylpropyl)carbamoyl]amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[methyl(2-methylpropyl)carbamoyl]amino]ethoxy]acetic acid
PubChem CID79463536
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2-[2-[[methyl(2-methylpropyl)carbamoyl]amino]ethoxy]acetic acid
SMILESCC(C)CN(C)C(=O)NCCOCC(=O)O
InChIInChI=1S/C10H20N2O4/c1-8(2)6-12(3)10(15)11-4-5-16-7-9(13)14/h8H,4-7H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyIDRAJBZGHRLVCO-UHFFFAOYSA-N
XLogP0.38
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79464216
2-[2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79464032
2-[2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79463361
2-[2-[2-(3-methylbutoxy)ethylcarbamoylamino]ethoxy]acetic acid
CID 79463945
2-[2-[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79464132
6-[[methyl(2-methylpropyl)carbamoyl]amino]hexanoic acid
CID 61196248
2-[2-(2,3-dimethylbutanoylamino)ethoxy]acetic acid
CID 79456707
2-[2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463348
2-[2-[[(2S)-2-amino-3-methylbutanoyl]amino]ethoxy]acetic acid
CID 79457033
3-methyl-4-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 81069762
2-[2-[[2-[acetyl(methyl)amino]acetyl]amino]ethoxy]acetic acid
CID 79457414
2-methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]propanoic acid
CID 63833535

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[methyl(2-methylpropyl)carbamoyl]amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[[methyl(2-methylpropyl)carbamoyl]amino]ethoxy]acetic acid (CID 79463536) is 2-[2-[[methyl(2-methylpropyl)carbamoyl]amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[methyl(2-methylpropyl)carbamoyl]amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[[methyl(2-methylpropyl)carbamoyl]amino]ethoxy]acetic acid is CC(C)CN(C)C(=O)NCCOCC(=O)O.
What is the InChIKey of 2-[2-[[methyl(2-methylpropyl)carbamoyl]amino]ethoxy]acetic acid?
The InChIKey is IDRAJBZGHRLVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-8(2)6-12(3)10(15)11-4-5-16-7-9(13)14/h8H,4-7H2,1-3H3,(H,11,15)(H,13,14).
What are the key properties of 2-[2-[[methyl(2-methylpropyl)carbamoyl]amino]ethoxy]acetic acid?
2-[2-[[methyl(2-methylpropyl)carbamoyl]amino]ethoxy]acetic acid has a molecular weight of 232.28 g/mol, XLogP of 0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[methyl(2-methylpropyl)carbamoyl]amino]ethoxy]acetic acid is sourced from PubChem (CID 79463536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).