3-amino-3-(hydroxymethyl)-2,2-dimethylcyclobutan-1-ol

C7H15NO2 — CID 146050340

IUPAC3-amino-3-(hydroxymethyl)-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1(N)CO
InChIInChI=1S/C7H15NO2/c1-6(2)5(10)3-7(6,8)4-9/h5,9-10H,3-4,8H2,1-2H3
InChIKeyRVZYHWLJDPPMFS-UHFFFAOYSA-N
MW145.20 g/mol
LogP-0.53
Rot. Bonds1

About 3-amino-3-(hydroxymethyl)-2,2-dimethylcyclobutan-1-ol

3-amino-3-(hydroxymethyl)-2,2-dimethylcyclobutan-1-ol (PubChem CID 146050340) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 3-amino-3-(hydroxymethyl)-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-amino-3-(hydroxymethyl)-2,2-dimethylcyclobutan-1-ol
PubChem CID146050340
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name3-amino-3-(hydroxymethyl)-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1(N)CO
InChIInChI=1S/C7H15NO2/c1-6(2)5(10)3-7(6,8)4-9/h5,9-10H,3-4,8H2,1-2H3
InChIKeyRVZYHWLJDPPMFS-UHFFFAOYSA-N
XLogP-0.53
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(hydroxymethyl)-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-amino-3-(hydroxymethyl)-2,2-dimethylcyclobutan-1-ol (CID 146050340) is 3-amino-3-(hydroxymethyl)-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-amino-3-(hydroxymethyl)-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-amino-3-(hydroxymethyl)-2,2-dimethylcyclobutan-1-ol is CC1(C)C(O)CC1(N)CO.
What is the InChIKey of 3-amino-3-(hydroxymethyl)-2,2-dimethylcyclobutan-1-ol?
The InChIKey is RVZYHWLJDPPMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-6(2)5(10)3-7(6,8)4-9/h5,9-10H,3-4,8H2,1-2H3.
What are the key properties of 3-amino-3-(hydroxymethyl)-2,2-dimethylcyclobutan-1-ol?
3-amino-3-(hydroxymethyl)-2,2-dimethylcyclobutan-1-ol has a molecular weight of 145.20 g/mol, XLogP of -0.53, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(hydroxymethyl)-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 146050340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).