trans-methyl (1R,2S)-1-amino-2-propan-2-ylcyclopropane-1-carboxylate;hydrochloride

C8H16ClNO2 — CID 146155234

IUPACtrans-methyl (1R,2S)-1-amino-2-propan-2-ylcyclopropane-1-carboxylate;hydrochloride
SMILESCOC(=O)[C@@]1(N)C[C@H]1C(C)C.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-5(2)6-4-8(6,9)7(10)11-3;/h5-6H,4,9H2,1-3H3;1H/t6-,8+;/m0./s1
InChIKeyMNWIJWMASXSZAO-QDOHZIMISA-N
MW193.67 g/mol
LogP0.95
Rot. Bonds2

About trans-methyl (1R,2S)-1-amino-2-propan-2-ylcyclopropane-1-carboxylate;hydrochloride

trans-methyl (1R,2S)-1-amino-2-propan-2-ylcyclopropane-1-carboxylate;hydrochloride (PubChem CID 146155234) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is trans-methyl (1R,2S)-1-amino-2-propan-2-ylcyclopropane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nametrans-methyl (1R,2S)-1-amino-2-propan-2-ylcyclopropane-1-carboxylate;hydrochloride
PubChem CID146155234
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Nametrans-methyl (1R,2S)-1-amino-2-propan-2-ylcyclopropane-1-carboxylate;hydrochloride
SMILESCOC(=O)[C@@]1(N)C[C@H]1C(C)C.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-5(2)6-4-8(6,9)7(10)11-3;/h5-6H,4,9H2,1-3H3;1H/t6-,8+;/m0./s1
InChIKeyMNWIJWMASXSZAO-QDOHZIMISA-N
XLogP0.95
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-methyl (1R,2S)-1-amino-2-propan-2-ylcyclopropane-1-carboxylate;hydrochloride?
The IUPAC name of trans-methyl (1R,2S)-1-amino-2-propan-2-ylcyclopropane-1-carboxylate;hydrochloride (CID 146155234) is trans-methyl (1R,2S)-1-amino-2-propan-2-ylcyclopropane-1-carboxylate;hydrochloride.
What is the SMILES notation for trans-methyl (1R,2S)-1-amino-2-propan-2-ylcyclopropane-1-carboxylate;hydrochloride?
The canonical SMILES for trans-methyl (1R,2S)-1-amino-2-propan-2-ylcyclopropane-1-carboxylate;hydrochloride is COC(=O)[C@@]1(N)C[C@H]1C(C)C.Cl.
What is the InChIKey of trans-methyl (1R,2S)-1-amino-2-propan-2-ylcyclopropane-1-carboxylate;hydrochloride?
The InChIKey is MNWIJWMASXSZAO-QDOHZIMISA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-5(2)6-4-8(6,9)7(10)11-3;/h5-6H,4,9H2,1-3H3;1H/t6-,8+;/m0./s1.
What are the key properties of trans-methyl (1R,2S)-1-amino-2-propan-2-ylcyclopropane-1-carboxylate;hydrochloride?
trans-methyl (1R,2S)-1-amino-2-propan-2-ylcyclopropane-1-carboxylate;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1R,2S)-1-amino-2-propan-2-ylcyclopropane-1-carboxylate;hydrochloride is sourced from PubChem (CID 146155234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).