2-[2-(2-aminoethoxy)ethoxy]acetic acid;benzyl carbonochloridate;2-(2-propoxyethoxy)acetic acid

C21H34ClNO10 — CID 157234769

IUPAC2-[2-(2-aminoethoxy)ethoxy]acetic acid;benzyl carbonochloridate;2-(2-propoxyethoxy)acetic acid
SMILESCCCOCCOCC(=O)O.NCCOCCOCC(=O)O.O=C(Cl)OCc1ccccc1
InChIInChI=1S/C8H7ClO2.C7H14O4.C6H13NO4/c9-8(10)11-6-7-4-2-1-3-5-7;1-2-3-10-4-5-11-6-7(8)9;7-1-2-10-3-4-11-5-6(8)9/h1-5H,6H2;2-6H2,1H3,(H,8,9);1-5,7H2,(H,8,9)
InChIKeyAUMVAWHQLUQPBY-UHFFFAOYSA-N
MW495.95 g/mol
LogP2.14
Rot. Bonds16

About 2-[2-(2-aminoethoxy)ethoxy]acetic acid;benzyl carbonochloridate;2-(2-propoxyethoxy)acetic acid

2-[2-(2-aminoethoxy)ethoxy]acetic acid;benzyl carbonochloridate;2-(2-propoxyethoxy)acetic acid (PubChem CID 157234769) has the molecular formula C21H34ClNO10 and a molecular weight of 495.95 g/mol. Its IUPAC name is 2-[2-(2-aminoethoxy)ethoxy]acetic acid;benzyl carbonochloridate;2-(2-propoxyethoxy)acetic acid.

Molecular Properties

Compound Name2-[2-(2-aminoethoxy)ethoxy]acetic acid;benzyl carbonochloridate;2-(2-propoxyethoxy)acetic acid
PubChem CID157234769
Molecular FormulaC21H34ClNO10
Molecular Weight495.95 g/mol
Exact Mass495.19
IUPAC Name2-[2-(2-aminoethoxy)ethoxy]acetic acid;benzyl carbonochloridate;2-(2-propoxyethoxy)acetic acid
SMILESCCCOCCOCC(=O)O.NCCOCCOCC(=O)O.O=C(Cl)OCc1ccccc1
InChIInChI=1S/C8H7ClO2.C7H14O4.C6H13NO4/c9-8(10)11-6-7-4-2-1-3-5-7;1-2-3-10-4-5-11-6-7(8)9;7-1-2-10-3-4-11-5-6(8)9/h1-5H,6H2;2-6H2,1H3,(H,8,9);1-5,7H2,(H,8,9)
InChIKeyAUMVAWHQLUQPBY-UHFFFAOYSA-N
XLogP2.14
TPSA163.84 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.95
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[2-(2-aminoethoxy)ethoxy]acetic acid;benzyl carbonochloridate;2-(2-propoxyethoxy)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl carbonochloridate
CID 10387
2-[2-(carboxymethoxy)ethoxy]acetic acid;2-[2-(2-oxo-2-phenylmethoxyethoxy)ethoxy]acetic acid
CID 158939829
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 155415114
benzyl carbonochloridate;toluene
CID 86663382
acetic acid;2-[2-(2-aminoethoxy)ethoxy]acetic acid
CID 172772523
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 153014245
ethane;2-phenylmethoxyethanamine
CID 142016503
2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetic acid;methylazanium
CID 142879742
benzyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 162341693
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;3-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 160630926
2-[2-[2-(3-phenylmethoxypropoxy)ethoxy]ethoxy]ethanamine
CID 139363224
3-aminopropan-1-ol;benzyl carbonochloridate;benzyl 5-hydroxypentanoate
CID 159144991

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethoxy)ethoxy]acetic acid;benzyl carbonochloridate;2-(2-propoxyethoxy)acetic acid?
The IUPAC name of 2-[2-(2-aminoethoxy)ethoxy]acetic acid;benzyl carbonochloridate;2-(2-propoxyethoxy)acetic acid (CID 157234769) is 2-[2-(2-aminoethoxy)ethoxy]acetic acid;benzyl carbonochloridate;2-(2-propoxyethoxy)acetic acid.
What is the SMILES notation for 2-[2-(2-aminoethoxy)ethoxy]acetic acid;benzyl carbonochloridate;2-(2-propoxyethoxy)acetic acid?
The canonical SMILES for 2-[2-(2-aminoethoxy)ethoxy]acetic acid;benzyl carbonochloridate;2-(2-propoxyethoxy)acetic acid is CCCOCCOCC(=O)O.NCCOCCOCC(=O)O.O=C(Cl)OCc1ccccc1.
What is the InChIKey of 2-[2-(2-aminoethoxy)ethoxy]acetic acid;benzyl carbonochloridate;2-(2-propoxyethoxy)acetic acid?
The InChIKey is AUMVAWHQLUQPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO2.C7H14O4.C6H13NO4/c9-8(10)11-6-7-4-2-1-3-5-7;1-2-3-10-4-5-11-6-7(8)9;7-1-2-10-3-4-11-5-6(8)9/h1-5H,6H2;2-6H2,1H3,(H,8,9);1-5,7H2,(H,8,9).
What are the key properties of 2-[2-(2-aminoethoxy)ethoxy]acetic acid;benzyl carbonochloridate;2-(2-propoxyethoxy)acetic acid?
2-[2-(2-aminoethoxy)ethoxy]acetic acid;benzyl carbonochloridate;2-(2-propoxyethoxy)acetic acid has a molecular weight of 495.95 g/mol, XLogP of 2.14, 16 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethoxy)ethoxy]acetic acid;benzyl carbonochloridate;2-(2-propoxyethoxy)acetic acid is sourced from PubChem (CID 157234769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).