2-aminoethanol;(2S)-2-amino-4-methylselanylbutanoic acid

C7H18N2O3Se — CID 73440789

IUPAC2-aminoethanol;(2S)-2-amino-4-methylselanylbutanoic acid
SMILESC[Se]CC[C@H](N)C(=O)O.NCCO
InChIInChI=1S/C5H11NO2Se.C2H7NO/c1-9-3-2-4(6)5(7)8;3-1-2-4/h4H,2-3,6H2,1H3,(H,7,8);4H,1-3H2/t4-;/m0./s1
InChIKeyQZPFVVTZRBDKKX-WCCKRBBISA-N
MW257.19 g/mol
LogP-1.10
Rot. Bonds5

About 2-aminoethanol;(2S)-2-amino-4-methylselanylbutanoic acid

2-aminoethanol;(2S)-2-amino-4-methylselanylbutanoic acid (PubChem CID 73440789) has the molecular formula C7H18N2O3Se and a molecular weight of 257.19 g/mol. Its IUPAC name is 2-aminoethanol;(2S)-2-amino-4-methylselanylbutanoic acid.

Molecular Properties

Compound Name2-aminoethanol;(2S)-2-amino-4-methylselanylbutanoic acid
PubChem CID73440789
Molecular FormulaC7H18N2O3Se
Molecular Weight257.19 g/mol
Exact Mass258.05
IUPAC Name2-aminoethanol;(2S)-2-amino-4-methylselanylbutanoic acid
SMILESC[Se]CC[C@H](N)C(=O)O.NCCO
InChIInChI=1S/C5H11NO2Se.C2H7NO/c1-9-3-2-4(6)5(7)8;3-1-2-4/h4H,2-3,6H2,1H3,(H,7,8);4H,1-3H2/t4-;/m0./s1
InChIKeyQZPFVVTZRBDKKX-WCCKRBBISA-N
XLogP-1.10
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.19
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-4-methylselanylbutanoic acid;hydrochloride
CID 87967506
2-amino-4-[(3-amino-3-carboxypropyl)diselanyl]butanoic acid
CID 24496
2,4-diaminobutanoic acid
CID 158725018
2,5-diaminopentanoic acid;ethane-1,2-diol
CID 174654889
2,6-diaminohexanoic acid;titanium
CID 174642581
(2S)-2,5-diaminopentanoic acid;methanol
CID 87528483
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2S)-2-amino-N-hydroxy-4-methylselanylbutanamide
CID 71381711
2-aminoethanol;2,4-diamino-4-oxobutanoic acid
CID 174977424
2-aminoethanol;(2S)-2-aminopentanedioic acid;(2S)-2,6-diaminohexanoic acid
CID 175329719
bis(2,5-diaminopentanoic acid);trihydrochloride
CID 175233947
butane-1,4-diamine;(2S)-2,5-diaminopentanoic acid
CID 87187240

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;(2S)-2-amino-4-methylselanylbutanoic acid?
The IUPAC name of 2-aminoethanol;(2S)-2-amino-4-methylselanylbutanoic acid (CID 73440789) is 2-aminoethanol;(2S)-2-amino-4-methylselanylbutanoic acid.
What is the SMILES notation for 2-aminoethanol;(2S)-2-amino-4-methylselanylbutanoic acid?
The canonical SMILES for 2-aminoethanol;(2S)-2-amino-4-methylselanylbutanoic acid is C[Se]CC[C@H](N)C(=O)O.NCCO.
What is the InChIKey of 2-aminoethanol;(2S)-2-amino-4-methylselanylbutanoic acid?
The InChIKey is QZPFVVTZRBDKKX-WCCKRBBISA-N. The full InChI is InChI=1S/C5H11NO2Se.C2H7NO/c1-9-3-2-4(6)5(7)8;3-1-2-4/h4H,2-3,6H2,1H3,(H,7,8);4H,1-3H2/t4-;/m0./s1.
What are the key properties of 2-aminoethanol;(2S)-2-amino-4-methylselanylbutanoic acid?
2-aminoethanol;(2S)-2-amino-4-methylselanylbutanoic acid has a molecular weight of 257.19 g/mol, XLogP of -1.10, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;(2S)-2-amino-4-methylselanylbutanoic acid is sourced from PubChem (CID 73440789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).