(2S)-2-amino-1-(2-methylbutan-2-yloxy)-4-phenylbutan-1-ol

C15H25NO2 — CID 126708131

IUPAC(2S)-2-amino-1-(2-methylbutan-2-yloxy)-4-phenylbutan-1-ol
SMILESCCC(C)(C)OC(O)[C@@H](N)CCc1ccccc1
InChIInChI=1S/C15H25NO2/c1-4-15(2,3)18-14(17)13(16)11-10-12-8-6-5-7-9-12/h5-9,13-14,17H,4,10-11,16H2,1-3H3/t13-,14?/m0/s1
InChIKeyACSUACJJEUZPTP-LSLKUGRBSA-N
MW251.37 g/mol
LogP2.47
Rot. Bonds7

About (2S)-2-amino-1-(2-methylbutan-2-yloxy)-4-phenylbutan-1-ol

(2S)-2-amino-1-(2-methylbutan-2-yloxy)-4-phenylbutan-1-ol (PubChem CID 126708131) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (2S)-2-amino-1-(2-methylbutan-2-yloxy)-4-phenylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-1-(2-methylbutan-2-yloxy)-4-phenylbutan-1-ol
PubChem CID126708131
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(2S)-2-amino-1-(2-methylbutan-2-yloxy)-4-phenylbutan-1-ol
SMILESCCC(C)(C)OC(O)[C@@H](N)CCc1ccccc1
InChIInChI=1S/C15H25NO2/c1-4-15(2,3)18-14(17)13(16)11-10-12-8-6-5-7-9-12/h5-9,13-14,17H,4,10-11,16H2,1-3H3/t13-,14?/m0/s1
InChIKeyACSUACJJEUZPTP-LSLKUGRBSA-N
XLogP2.47
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methylbutan-2-yl (2S)-2-amino-4-phenylbutanoate;hydrochloride
CID 162311017
(2R)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpentanoic acid
CID 56923716
3-methylpentan-3-yl (2S)-2-amino-4-phenylbutanoate
CID 67623648
2-amino-1,4-diphenylbutan-1-ol
CID 10847700
1,1-dimethoxy-4-phenylbutan-2-amine
CID 68520793
(3R)-4,4-dimethyl-1-phenylpentan-3-ol
CID 53244616
1-hydroperoxy-3-phenylpropan-1-amine
CID 143660596
3-amino-2-hydroxy-5-phenylpentanoic acid
CID 22182665
(2R)-2-deuterio-4-phenylbutan-2-ol
CID 162415693
2-methylbutan-2-yl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 118638342
ethyl (2R)-2-hydroxy-4-phenylbutanoate
CID 2733848
1-[(2-methylpropan-2-yl)oxy]-4-phenylbutan-2-amine
CID 105094062

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(2-methylbutan-2-yloxy)-4-phenylbutan-1-ol?
The IUPAC name of (2S)-2-amino-1-(2-methylbutan-2-yloxy)-4-phenylbutan-1-ol (CID 126708131) is (2S)-2-amino-1-(2-methylbutan-2-yloxy)-4-phenylbutan-1-ol.
What is the SMILES notation for (2S)-2-amino-1-(2-methylbutan-2-yloxy)-4-phenylbutan-1-ol?
The canonical SMILES for (2S)-2-amino-1-(2-methylbutan-2-yloxy)-4-phenylbutan-1-ol is CCC(C)(C)OC(O)[C@@H](N)CCc1ccccc1.
What is the InChIKey of (2S)-2-amino-1-(2-methylbutan-2-yloxy)-4-phenylbutan-1-ol?
The InChIKey is ACSUACJJEUZPTP-LSLKUGRBSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-15(2,3)18-14(17)13(16)11-10-12-8-6-5-7-9-12/h5-9,13-14,17H,4,10-11,16H2,1-3H3/t13-,14?/m0/s1.
What are the key properties of (2S)-2-amino-1-(2-methylbutan-2-yloxy)-4-phenylbutan-1-ol?
(2S)-2-amino-1-(2-methylbutan-2-yloxy)-4-phenylbutan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(2-methylbutan-2-yloxy)-4-phenylbutan-1-ol is sourced from PubChem (CID 126708131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).