[(2S,3R)-1-amino-3-ethyl-2-[(1-methylcyclopropyl)methyl]cyclobutyl]methanol

C12H23NO — CID 68765085

IUPAC[(2S,3R)-1-amino-3-ethyl-2-[(1-methylcyclopropyl)methyl]cyclobutyl]methanol
SMILESCC[C@@H]1CC(N)(CO)[C@H]1CC1(C)CC1
InChIInChI=1S/C12H23NO/c1-3-9-6-12(13,8-14)10(9)7-11(2)4-5-11/h9-10,14H,3-8,13H2,1-2H3/t9-,10+,12?/m1/s1
InChIKeyJVSPEZAOJLAQDJ-WFCWDVHWSA-N
MW197.32 g/mol
LogP1.91
Rot. Bonds4

About [(2S,3R)-1-amino-3-ethyl-2-[(1-methylcyclopropyl)methyl]cyclobutyl]methanol

[(2S,3R)-1-amino-3-ethyl-2-[(1-methylcyclopropyl)methyl]cyclobutyl]methanol (PubChem CID 68765085) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is [(2S,3R)-1-amino-3-ethyl-2-[(1-methylcyclopropyl)methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[(2S,3R)-1-amino-3-ethyl-2-[(1-methylcyclopropyl)methyl]cyclobutyl]methanol
PubChem CID68765085
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name[(2S,3R)-1-amino-3-ethyl-2-[(1-methylcyclopropyl)methyl]cyclobutyl]methanol
SMILESCC[C@@H]1CC(N)(CO)[C@H]1CC1(C)CC1
InChIInChI=1S/C12H23NO/c1-3-9-6-12(13,8-14)10(9)7-11(2)4-5-11/h9-10,14H,3-8,13H2,1-2H3/t9-,10+,12?/m1/s1
InChIKeyJVSPEZAOJLAQDJ-WFCWDVHWSA-N
XLogP1.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-1-amino-3-ethyl-2-[(1-methylcyclopropyl)methyl]cyclobutyl]methanol?
The IUPAC name of [(2S,3R)-1-amino-3-ethyl-2-[(1-methylcyclopropyl)methyl]cyclobutyl]methanol (CID 68765085) is [(2S,3R)-1-amino-3-ethyl-2-[(1-methylcyclopropyl)methyl]cyclobutyl]methanol.
What is the SMILES notation for [(2S,3R)-1-amino-3-ethyl-2-[(1-methylcyclopropyl)methyl]cyclobutyl]methanol?
The canonical SMILES for [(2S,3R)-1-amino-3-ethyl-2-[(1-methylcyclopropyl)methyl]cyclobutyl]methanol is CC[C@@H]1CC(N)(CO)[C@H]1CC1(C)CC1.
What is the InChIKey of [(2S,3R)-1-amino-3-ethyl-2-[(1-methylcyclopropyl)methyl]cyclobutyl]methanol?
The InChIKey is JVSPEZAOJLAQDJ-WFCWDVHWSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-9-6-12(13,8-14)10(9)7-11(2)4-5-11/h9-10,14H,3-8,13H2,1-2H3/t9-,10+,12?/m1/s1.
What are the key properties of [(2S,3R)-1-amino-3-ethyl-2-[(1-methylcyclopropyl)methyl]cyclobutyl]methanol?
[(2S,3R)-1-amino-3-ethyl-2-[(1-methylcyclopropyl)methyl]cyclobutyl]methanol has a molecular weight of 197.32 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-1-amino-3-ethyl-2-[(1-methylcyclopropyl)methyl]cyclobutyl]methanol is sourced from PubChem (CID 68765085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).