cis-methyl (1S,2R)-1-amino-2-fluoro-2-propan-2-ylcyclopropane-1-carboxylate

C8H14FNO2 — CID 71528630

IUPACcis-methyl (1S,2R)-1-amino-2-fluoro-2-propan-2-ylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@@]1(N)C[C@@]1(F)C(C)C
InChIInChI=1S/C8H14FNO2/c1-5(2)7(9)4-8(7,10)6(11)12-3/h5H,4,10H2,1-3H3/t7-,8+/m1/s1
InChIKeyIOXXMHAVBABXRG-SFYZADRCSA-N
MW175.20 g/mol
LogP0.62
Rot. Bonds2

About cis-methyl (1S,2R)-1-amino-2-fluoro-2-propan-2-ylcyclopropane-1-carboxylate

cis-methyl (1S,2R)-1-amino-2-fluoro-2-propan-2-ylcyclopropane-1-carboxylate (PubChem CID 71528630) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is cis-methyl (1S,2R)-1-amino-2-fluoro-2-propan-2-ylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1S,2R)-1-amino-2-fluoro-2-propan-2-ylcyclopropane-1-carboxylate
PubChem CID71528630
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Namecis-methyl (1S,2R)-1-amino-2-fluoro-2-propan-2-ylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@@]1(N)C[C@@]1(F)C(C)C
InChIInChI=1S/C8H14FNO2/c1-5(2)7(9)4-8(7,10)6(11)12-3/h5H,4,10H2,1-3H3/t7-,8+/m1/s1
InChIKeyIOXXMHAVBABXRG-SFYZADRCSA-N
XLogP0.62
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-1-amino-2-fluoro-2-propan-2-ylcyclopropane-1-carboxylic acid;hydrochloride
CID 71528633
methyl 1-amino-2,2,3,3-tetrafluorocyclobutane-1-carboxylate
CID 167715905
methyl (1S)-1-amino-2,2-diethylcyclopropane-1-carboxylate
CID 129385459
methyl 2-aminospiro[2.2]pentane-2-carboxylate;hydrochloride
CID 67031096
methyl 1-amino-2,2-bis(2-aminopropanoyl)cyclobutane-1-carboxylate
CID 67827972
methyl 2-aminospiro[2.4]heptane-2-carboxylate;hydrochloride
CID 67031572
methyl 1-propan-2-ylcyclopropane-1-carboxylate
CID 59734384
methyl 10-aminospiro[4.5]decane-10-carboxylate
CID 83909665
trans-methyl (1S,2R)-1-amino-2-propan-2-ylcyclobutane-1-carboxylate
CID 129418531
methyl 2-amino-6-thiaspiro[2.5]octane-2-carboxylate
CID 84670226
methyl 1-(bromomethyl)-3,3-difluorocyclobutane-1-carboxylate
CID 146155096
methyl 3-amino-1,3-dimethylcyclobutane-1-carboxylate
CID 146204019

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1S,2R)-1-amino-2-fluoro-2-propan-2-ylcyclopropane-1-carboxylate?
The IUPAC name of cis-methyl (1S,2R)-1-amino-2-fluoro-2-propan-2-ylcyclopropane-1-carboxylate (CID 71528630) is cis-methyl (1S,2R)-1-amino-2-fluoro-2-propan-2-ylcyclopropane-1-carboxylate.
What is the SMILES notation for cis-methyl (1S,2R)-1-amino-2-fluoro-2-propan-2-ylcyclopropane-1-carboxylate?
The canonical SMILES for cis-methyl (1S,2R)-1-amino-2-fluoro-2-propan-2-ylcyclopropane-1-carboxylate is COC(=O)[C@@]1(N)C[C@@]1(F)C(C)C.
What is the InChIKey of cis-methyl (1S,2R)-1-amino-2-fluoro-2-propan-2-ylcyclopropane-1-carboxylate?
The InChIKey is IOXXMHAVBABXRG-SFYZADRCSA-N. The full InChI is InChI=1S/C8H14FNO2/c1-5(2)7(9)4-8(7,10)6(11)12-3/h5H,4,10H2,1-3H3/t7-,8+/m1/s1.
What are the key properties of cis-methyl (1S,2R)-1-amino-2-fluoro-2-propan-2-ylcyclopropane-1-carboxylate?
cis-methyl (1S,2R)-1-amino-2-fluoro-2-propan-2-ylcyclopropane-1-carboxylate has a molecular weight of 175.20 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1S,2R)-1-amino-2-fluoro-2-propan-2-ylcyclopropane-1-carboxylate is sourced from PubChem (CID 71528630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).