[(1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutyl]methanol

C9H19NO2 — CID 97358944

IUPAC[(1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutyl]methanol
SMILESCCO[C@@H]1C[C@@](N)(CO)C1(C)C
InChIInChI=1S/C9H19NO2/c1-4-12-7-5-9(10,6-11)8(7,2)3/h7,11H,4-6,10H2,1-3H3/t7-,9-/m1/s1
InChIKeyKSRDNDHHDJLQFR-VXNVDRBHSA-N
MW173.26 g/mol
LogP0.51
Rot. Bonds3

About [(1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutyl]methanol

[(1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutyl]methanol (PubChem CID 97358944) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is [(1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutyl]methanol.

Molecular Properties

Compound Name[(1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutyl]methanol
PubChem CID97358944
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name[(1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutyl]methanol
SMILESCCO[C@@H]1C[C@@](N)(CO)C1(C)C
InChIInChI=1S/C9H19NO2/c1-4-12-7-5-9(10,6-11)8(7,2)3/h7,11H,4-6,10H2,1-3H3/t7-,9-/m1/s1
InChIKeyKSRDNDHHDJLQFR-VXNVDRBHSA-N
XLogP0.51
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methanol
CID 75524980
trans-(1R,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 97300458
3-ethoxy-1-[[(1-ethylcyclobutyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine
CID 114830783
N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-1-methylcyclohexan-1-amine
CID 114830457
1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114827911
N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-N-methylcycloheptanamine
CID 114830305
3-ethoxy-2,2-dimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclobutan-1-amine
CID 114830674
1-[(2,5-dimethylpiperidin-1-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 114830668
N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114830821
3-ethoxy-1-[[(3-methoxycyclobutyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine
CID 114119860
1-(8-azaspiro[4.5]decan-8-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 114830560
1-amino-3-ethoxy-2,2-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)cyclobutane-1-carboxamide
CID 114829539

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutyl]methanol?
The IUPAC name of [(1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutyl]methanol (CID 97358944) is [(1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutyl]methanol.
What is the SMILES notation for [(1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutyl]methanol?
The canonical SMILES for [(1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutyl]methanol is CCO[C@@H]1C[C@@](N)(CO)C1(C)C.
What is the InChIKey of [(1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutyl]methanol?
The InChIKey is KSRDNDHHDJLQFR-VXNVDRBHSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-12-7-5-9(10,6-11)8(7,2)3/h7,11H,4-6,10H2,1-3H3/t7-,9-/m1/s1.
What are the key properties of [(1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutyl]methanol?
[(1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutyl]methanol has a molecular weight of 173.26 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutyl]methanol is sourced from PubChem (CID 97358944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).