(2R)-1-amino-3-[1-(aminomethyl)cyclobutyl]propan-2-ol

C8H18N2O — CID 125455053

IUPAC(2R)-1-amino-3-[1-(aminomethyl)cyclobutyl]propan-2-ol
SMILESNC[C@H](O)CC1(CN)CCC1
InChIInChI=1S/C8H18N2O/c9-5-7(11)4-8(6-10)2-1-3-8/h7,11H,1-6,9-10H2/t7-/m1/s1
InChIKeyZOYJVOWHXYEKQE-SSDOTTSWSA-N
MW158.24 g/mol
LogP-0.17
Rot. Bonds4

About (2R)-1-amino-3-[1-(aminomethyl)cyclobutyl]propan-2-ol

(2R)-1-amino-3-[1-(aminomethyl)cyclobutyl]propan-2-ol (PubChem CID 125455053) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is (2R)-1-amino-3-[1-(aminomethyl)cyclobutyl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-amino-3-[1-(aminomethyl)cyclobutyl]propan-2-ol
PubChem CID125455053
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name(2R)-1-amino-3-[1-(aminomethyl)cyclobutyl]propan-2-ol
SMILESNC[C@H](O)CC1(CN)CCC1
InChIInChI=1S/C8H18N2O/c9-5-7(11)4-8(6-10)2-1-3-8/h7,11H,1-6,9-10H2/t7-/m1/s1
InChIKeyZOYJVOWHXYEKQE-SSDOTTSWSA-N
XLogP-0.17
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-amino-3-[1-(aminomethyl)cyclobutyl]propan-2-ol?
The IUPAC name of (2R)-1-amino-3-[1-(aminomethyl)cyclobutyl]propan-2-ol (CID 125455053) is (2R)-1-amino-3-[1-(aminomethyl)cyclobutyl]propan-2-ol.
What is the SMILES notation for (2R)-1-amino-3-[1-(aminomethyl)cyclobutyl]propan-2-ol?
The canonical SMILES for (2R)-1-amino-3-[1-(aminomethyl)cyclobutyl]propan-2-ol is NC[C@H](O)CC1(CN)CCC1.
What is the InChIKey of (2R)-1-amino-3-[1-(aminomethyl)cyclobutyl]propan-2-ol?
The InChIKey is ZOYJVOWHXYEKQE-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H18N2O/c9-5-7(11)4-8(6-10)2-1-3-8/h7,11H,1-6,9-10H2/t7-/m1/s1.
What are the key properties of (2R)-1-amino-3-[1-(aminomethyl)cyclobutyl]propan-2-ol?
(2R)-1-amino-3-[1-(aminomethyl)cyclobutyl]propan-2-ol has a molecular weight of 158.24 g/mol, XLogP of -0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-amino-3-[1-(aminomethyl)cyclobutyl]propan-2-ol is sourced from PubChem (CID 125455053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).