cis-methyl (1R,3S)-1-amino-3-hydroxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride

C8H16ClNO3 — CID 146155122

IUPACcis-methyl (1R,3S)-1-amino-3-hydroxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride
SMILESCOC(=O)[C@@]1(N)C[C@H](O)C1(C)C.Cl
InChIInChI=1S/C8H15NO3.ClH/c1-7(2)5(10)4-8(7,9)6(11)12-3;/h5,10H,4,9H2,1-3H3;1H/t5-,8-;/m0./s1
InChIKeyJWBBPJXOVVEWGS-XMLTWROESA-N
MW209.67 g/mol
LogP0.07
Rot. Bonds1

About cis-methyl (1R,3S)-1-amino-3-hydroxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride

cis-methyl (1R,3S)-1-amino-3-hydroxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride (PubChem CID 146155122) has the molecular formula C8H16ClNO3 and a molecular weight of 209.67 g/mol. Its IUPAC name is cis-methyl (1R,3S)-1-amino-3-hydroxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namecis-methyl (1R,3S)-1-amino-3-hydroxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride
PubChem CID146155122
Molecular FormulaC8H16ClNO3
Molecular Weight209.67 g/mol
Exact Mass209.08
IUPAC Namecis-methyl (1R,3S)-1-amino-3-hydroxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride
SMILESCOC(=O)[C@@]1(N)C[C@H](O)C1(C)C.Cl
InChIInChI=1S/C8H15NO3.ClH/c1-7(2)5(10)4-8(7,9)6(11)12-3;/h5,10H,4,9H2,1-3H3;1H/t5-,8-;/m0./s1
InChIKeyJWBBPJXOVVEWGS-XMLTWROESA-N
XLogP0.07
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.67
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,3S)-1-amino-3-hydroxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride?
The IUPAC name of cis-methyl (1R,3S)-1-amino-3-hydroxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride (CID 146155122) is cis-methyl (1R,3S)-1-amino-3-hydroxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride.
What is the SMILES notation for cis-methyl (1R,3S)-1-amino-3-hydroxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride?
The canonical SMILES for cis-methyl (1R,3S)-1-amino-3-hydroxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride is COC(=O)[C@@]1(N)C[C@H](O)C1(C)C.Cl.
What is the InChIKey of cis-methyl (1R,3S)-1-amino-3-hydroxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride?
The InChIKey is JWBBPJXOVVEWGS-XMLTWROESA-N. The full InChI is InChI=1S/C8H15NO3.ClH/c1-7(2)5(10)4-8(7,9)6(11)12-3;/h5,10H,4,9H2,1-3H3;1H/t5-,8-;/m0./s1.
What are the key properties of cis-methyl (1R,3S)-1-amino-3-hydroxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride?
cis-methyl (1R,3S)-1-amino-3-hydroxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride has a molecular weight of 209.67 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1R,3S)-1-amino-3-hydroxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride is sourced from PubChem (CID 146155122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).