2-[2-(butanoylamino)ethoxy]propanoic acid

C9H17NO4 — CID 110495112

IUPAC2-[2-(butanoylamino)ethoxy]propanoic acid
SMILESCCCC(=O)NCCOC(C)C(=O)O
InChIInChI=1S/C9H17NO4/c1-3-4-8(11)10-5-6-14-7(2)9(12)13/h7H,3-6H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyREIRPIFDUIJOOP-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.39
Rot. Bonds7

About 2-[2-(butanoylamino)ethoxy]propanoic acid

2-[2-(butanoylamino)ethoxy]propanoic acid (PubChem CID 110495112) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-[2-(butanoylamino)ethoxy]propanoic acid.

Molecular Properties

Compound Name2-[2-(butanoylamino)ethoxy]propanoic acid
PubChem CID110495112
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name2-[2-(butanoylamino)ethoxy]propanoic acid
SMILESCCCC(=O)NCCOC(C)C(=O)O
InChIInChI=1S/C9H17NO4/c1-3-4-8(11)10-5-6-14-7(2)9(12)13/h7H,3-6H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyREIRPIFDUIJOOP-UHFFFAOYSA-N
XLogP0.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.39
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

(2S)-2-[2-(butylamino)-2-oxoethoxy]propanoic acid
CID 104876101
2-[2-(methylcarbamothioylamino)ethoxy]propanoic acid
CID 110495264
N-[2-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methylbutanamide
CID 129177572
2-[2-(3-methylbut-2-enoylamino)ethoxy]propanoic acid
CID 110495236
N-[3-(2-methoxyethylamino)-3-oxopropyl]butanamide
CID 115590611
N-[2-(2-propoxyethoxy)ethyl]butanamide
CID 88853938
3-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]propanoic acid
CID 175775195
2-[2-(3-indol-1-ylpropanoylamino)ethoxy]propanoic acid
CID 110495262
(2S)-2-amino-N,N'-bis[2-[2-(butanoylamino)ethoxy]ethyl]pentanediamide
CID 168852497
N-[2-(2-methanidyloxyethoxy)ethyl]butanamide;2-methylpropane;yttrium
CID 153336214
N-[2-(butanoylamino)ethyl]-3-methylbutanamide
CID 108570913
(2S)-2-heptoxypropanoic acid
CID 22301798

Frequently Asked Questions

What is the IUPAC name of 2-[2-(butanoylamino)ethoxy]propanoic acid?
The IUPAC name of 2-[2-(butanoylamino)ethoxy]propanoic acid (CID 110495112) is 2-[2-(butanoylamino)ethoxy]propanoic acid.
What is the SMILES notation for 2-[2-(butanoylamino)ethoxy]propanoic acid?
The canonical SMILES for 2-[2-(butanoylamino)ethoxy]propanoic acid is CCCC(=O)NCCOC(C)C(=O)O.
What is the InChIKey of 2-[2-(butanoylamino)ethoxy]propanoic acid?
The InChIKey is REIRPIFDUIJOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-3-4-8(11)10-5-6-14-7(2)9(12)13/h7H,3-6H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 2-[2-(butanoylamino)ethoxy]propanoic acid?
2-[2-(butanoylamino)ethoxy]propanoic acid has a molecular weight of 203.24 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(butanoylamino)ethoxy]propanoic acid is sourced from PubChem (CID 110495112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).