(2S)-2-amino-4-ethoxybutan-1-ol

C6H15NO2 — CID 55285759

IUPAC(2S)-2-amino-4-ethoxybutan-1-ol
SMILESCCOCC[C@H](N)CO
InChIInChI=1S/C6H15NO2/c1-2-9-4-3-6(7)5-8/h6,8H,2-5,7H2,1H3/t6-/m0/s1
InChIKeyIFSPZGLPADZEHP-LURJTMIESA-N
MW133.19 g/mol
LogP-0.27
Rot. Bonds5

About (2S)-2-amino-4-ethoxybutan-1-ol

(2S)-2-amino-4-ethoxybutan-1-ol (PubChem CID 55285759) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is (2S)-2-amino-4-ethoxybutan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-4-ethoxybutan-1-ol
PubChem CID55285759
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name(2S)-2-amino-4-ethoxybutan-1-ol
SMILESCCOCC[C@H](N)CO
InChIInChI=1S/C6H15NO2/c1-2-9-4-3-6(7)5-8/h6,8H,2-5,7H2,1H3/t6-/m0/s1
InChIKeyIFSPZGLPADZEHP-LURJTMIESA-N
XLogP-0.27
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 5-0.27
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-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
CID 104567674
4-ethoxy-1-methoxybutan-2-amine
CID 115601761
1-ethoxy-5-methoxypentan-3-amine
CID 114997131
1-ethoxy-7,7,7-trifluoroheptan-3-amine
CID 105174475
4-ethoxy-1-methylsulfonylbutan-2-amine
CID 114997362
ethyl (2S)-2-amino-4-ethoxybutanoate
CID 22839428
5-ethoxy-2-(2-ethoxyethyl)pentan-1-ol
CID 121218996
(2R)-4-[(2R)-2-amino-3-hydroxypropoxy]butan-2-ol
CID 59968163
5-ethoxypentane-1,3-diol
CID 87719157
4-(2-amino-4-ethoxybutoxy)-1-(ethylamino)butan-1-ol
CID 123353175
1-ethoxy-4-(2-methoxyethoxy)butan-2-amine
CID 102927951
(2S)-2-amino-4-fluorobutan-1-ol
CID 96551535

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-ethoxybutan-1-ol?
The IUPAC name of (2S)-2-amino-4-ethoxybutan-1-ol (CID 55285759) is (2S)-2-amino-4-ethoxybutan-1-ol.
What is the SMILES notation for (2S)-2-amino-4-ethoxybutan-1-ol?
The canonical SMILES for (2S)-2-amino-4-ethoxybutan-1-ol is CCOCC[C@H](N)CO.
What is the InChIKey of (2S)-2-amino-4-ethoxybutan-1-ol?
The InChIKey is IFSPZGLPADZEHP-LURJTMIESA-N. The full InChI is InChI=1S/C6H15NO2/c1-2-9-4-3-6(7)5-8/h6,8H,2-5,7H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-2-amino-4-ethoxybutan-1-ol?
(2S)-2-amino-4-ethoxybutan-1-ol has a molecular weight of 133.19 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-ethoxybutan-1-ol is sourced from PubChem (CID 55285759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).