2-[2-[2-[(1-methylcyclopropanecarbonyl)amino]ethoxy]ethoxy]acetic acid

C11H19NO5 — CID 165477386

IUPAC2-[2-[2-[(1-methylcyclopropanecarbonyl)amino]ethoxy]ethoxy]acetic acid
SMILESCC1(C(=O)NCCOCCOCC(=O)O)CC1
InChIInChI=1S/C11H19NO5/c1-11(2-3-11)10(15)12-4-5-16-6-7-17-8-9(13)14/h2-8H2,1H3,(H,12,15)(H,13,14)
InChIKeyKBLJJVMQJFZASP-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.02
Rot. Bonds9

About 2-[2-[2-[(1-methylcyclopropanecarbonyl)amino]ethoxy]ethoxy]acetic acid

2-[2-[2-[(1-methylcyclopropanecarbonyl)amino]ethoxy]ethoxy]acetic acid (PubChem CID 165477386) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-[2-[2-[(1-methylcyclopropanecarbonyl)amino]ethoxy]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[(1-methylcyclopropanecarbonyl)amino]ethoxy]ethoxy]acetic acid
PubChem CID165477386
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name2-[2-[2-[(1-methylcyclopropanecarbonyl)amino]ethoxy]ethoxy]acetic acid
SMILESCC1(C(=O)NCCOCCOCC(=O)O)CC1
InChIInChI=1S/C11H19NO5/c1-11(2-3-11)10(15)12-4-5-16-6-7-17-8-9(13)14/h2-8H2,1H3,(H,12,15)(H,13,14)
InChIKeyKBLJJVMQJFZASP-UHFFFAOYSA-N
XLogP0.02
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.02
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

2-[2-[(1-methylcyclohexanecarbonyl)amino]ethoxy]acetic acid
CID 106826363
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1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide
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2-[2-[2-[2-[2-(carboxyamino)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
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N-[2-(2-chloroethoxy)ethyl]-1-methylcyclohexane-1-carboxamide
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2-[2-[2-[(2-chloroacetyl)amino]ethoxy]ethoxy]acetic acid
CID 163273323
2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 11660330
ethane;2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]acetic acid
CID 142814707
2-[2-[(4-amino-3-methyloxolane-3-carbonyl)amino]ethoxy]acetic acid
CID 79457673
2-[2-[(1-phenoxycyclopropanecarbonyl)amino]ethoxy]acetic acid
CID 122108853
2-[2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]ethoxy]acetic acid
CID 114829545
2-[2-[(4,4-dimethylazepane-1-carbonyl)amino]ethoxy]acetic acid
CID 79463859

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(1-methylcyclopropanecarbonyl)amino]ethoxy]ethoxy]acetic acid?
The IUPAC name of 2-[2-[2-[(1-methylcyclopropanecarbonyl)amino]ethoxy]ethoxy]acetic acid (CID 165477386) is 2-[2-[2-[(1-methylcyclopropanecarbonyl)amino]ethoxy]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-[(1-methylcyclopropanecarbonyl)amino]ethoxy]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-[(1-methylcyclopropanecarbonyl)amino]ethoxy]ethoxy]acetic acid is CC1(C(=O)NCCOCCOCC(=O)O)CC1.
What is the InChIKey of 2-[2-[2-[(1-methylcyclopropanecarbonyl)amino]ethoxy]ethoxy]acetic acid?
The InChIKey is KBLJJVMQJFZASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-11(2-3-11)10(15)12-4-5-16-6-7-17-8-9(13)14/h2-8H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 2-[2-[2-[(1-methylcyclopropanecarbonyl)amino]ethoxy]ethoxy]acetic acid?
2-[2-[2-[(1-methylcyclopropanecarbonyl)amino]ethoxy]ethoxy]acetic acid has a molecular weight of 245.27 g/mol, XLogP of 0.02, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(1-methylcyclopropanecarbonyl)amino]ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 165477386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).