(3S)-3-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-2-one

C9H19NO4 — CID 59672514

IUPAC(3S)-3-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-2-one
SMILESCOCCOCCOC[C@H](N)C(C)=O
InChIInChI=1S/C9H19NO4/c1-8(11)9(10)7-14-6-5-13-4-3-12-2/h9H,3-7,10H2,1-2H3/t9-/m0/s1
InChIKeyBOWPUTYXJBLPIZ-VIFPVBQESA-N
MW205.25 g/mol
LogP-0.42
Rot. Bonds9

About (3S)-3-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-2-one

(3S)-3-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-2-one (PubChem CID 59672514) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is (3S)-3-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-2-one.

Molecular Properties

Compound Name(3S)-3-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-2-one
PubChem CID59672514
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name(3S)-3-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-2-one
SMILESCOCCOCCOC[C@H](N)C(C)=O
InChIInChI=1S/C9H19NO4/c1-8(11)9(10)7-14-6-5-13-4-3-12-2/h9H,3-7,10H2,1-2H3/t9-/m0/s1
InChIKeyBOWPUTYXJBLPIZ-VIFPVBQESA-N
XLogP-0.42
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(2-methoxyethoxy)propanoic acid
CID 20596399
(2R)-2-amino-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 106702905
2-amino-3-[3-(2-methoxyethoxy)propoxy]propanamide
CID 103400791
2-amino-3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid
CID 177139504
2-amino-4-[3-(2-methoxyethoxy)propoxy]butanoic acid
CID 103404603
(2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-amine
CID 104560725
(2S)-3-acetyloxy-2-aminopropanoic acid
CID 88545588
2-amino-3-[2-(2-methoxyethoxy)ethoxy]propan-1-ol
CID 112704571
(2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoic acid
CID 87267502
2-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 81088978
2-amino-4-[2-(2-methylpropoxy)ethoxy]butanoic acid
CID 106448971
2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane-1,1-diol
CID 87208063

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-2-one?
The IUPAC name of (3S)-3-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-2-one (CID 59672514) is (3S)-3-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-2-one.
What is the SMILES notation for (3S)-3-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-2-one?
The canonical SMILES for (3S)-3-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-2-one is COCCOCCOC[C@H](N)C(C)=O.
What is the InChIKey of (3S)-3-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-2-one?
The InChIKey is BOWPUTYXJBLPIZ-VIFPVBQESA-N. The full InChI is InChI=1S/C9H19NO4/c1-8(11)9(10)7-14-6-5-13-4-3-12-2/h9H,3-7,10H2,1-2H3/t9-/m0/s1.
What are the key properties of (3S)-3-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-2-one?
(3S)-3-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-2-one has a molecular weight of 205.25 g/mol, XLogP of -0.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-2-one is sourced from PubChem (CID 59672514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).