(2R,3S)-3-amino-4-phenyl-1-[(1-propan-2-ylcyclobutyl)amino]butan-2-ol

C17H28N2O — CID 69358318

IUPAC(2R,3S)-3-amino-4-phenyl-1-[(1-propan-2-ylcyclobutyl)amino]butan-2-ol
SMILESCC(C)C1(NC[C@@H](O)[C@@H](N)Cc2ccccc2)CCC1
InChIInChI=1S/C17H28N2O/c1-13(2)17(9-6-10-17)19-12-16(20)15(18)11-14-7-4-3-5-8-14/h3-5,7-8,13,15-16,19-20H,6,9-12,18H2,1-2H3/t15-,16+/m0/s1
InChIKeyXIJPLIHYKWIHHS-JKSUJKDBSA-N
MW276.42 g/mol
LogP2.09
Rot. Bonds7

About (2R,3S)-3-amino-4-phenyl-1-[(1-propan-2-ylcyclobutyl)amino]butan-2-ol

(2R,3S)-3-amino-4-phenyl-1-[(1-propan-2-ylcyclobutyl)amino]butan-2-ol (PubChem CID 69358318) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is (2R,3S)-3-amino-4-phenyl-1-[(1-propan-2-ylcyclobutyl)amino]butan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-amino-4-phenyl-1-[(1-propan-2-ylcyclobutyl)amino]butan-2-ol
PubChem CID69358318
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name(2R,3S)-3-amino-4-phenyl-1-[(1-propan-2-ylcyclobutyl)amino]butan-2-ol
SMILESCC(C)C1(NC[C@@H](O)[C@@H](N)Cc2ccccc2)CCC1
InChIInChI=1S/C17H28N2O/c1-13(2)17(9-6-10-17)19-12-16(20)15(18)11-14-7-4-3-5-8-14/h3-5,7-8,13,15-16,19-20H,6,9-12,18H2,1-2H3/t15-,16+/m0/s1
InChIKeyXIJPLIHYKWIHHS-JKSUJKDBSA-N
XLogP2.09
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-4-phenyl-1-[(1-propan-2-ylcyclobutyl)amino]butan-2-ol?
The IUPAC name of (2R,3S)-3-amino-4-phenyl-1-[(1-propan-2-ylcyclobutyl)amino]butan-2-ol (CID 69358318) is (2R,3S)-3-amino-4-phenyl-1-[(1-propan-2-ylcyclobutyl)amino]butan-2-ol.
What is the SMILES notation for (2R,3S)-3-amino-4-phenyl-1-[(1-propan-2-ylcyclobutyl)amino]butan-2-ol?
The canonical SMILES for (2R,3S)-3-amino-4-phenyl-1-[(1-propan-2-ylcyclobutyl)amino]butan-2-ol is CC(C)C1(NC[C@@H](O)[C@@H](N)Cc2ccccc2)CCC1.
What is the InChIKey of (2R,3S)-3-amino-4-phenyl-1-[(1-propan-2-ylcyclobutyl)amino]butan-2-ol?
The InChIKey is XIJPLIHYKWIHHS-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)17(9-6-10-17)19-12-16(20)15(18)11-14-7-4-3-5-8-14/h3-5,7-8,13,15-16,19-20H,6,9-12,18H2,1-2H3/t15-,16+/m0/s1.
What are the key properties of (2R,3S)-3-amino-4-phenyl-1-[(1-propan-2-ylcyclobutyl)amino]butan-2-ol?
(2R,3S)-3-amino-4-phenyl-1-[(1-propan-2-ylcyclobutyl)amino]butan-2-ol has a molecular weight of 276.42 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-4-phenyl-1-[(1-propan-2-ylcyclobutyl)amino]butan-2-ol is sourced from PubChem (CID 69358318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).