cis-(1R,2S)-1-(aminomethyl)-2-propan-2-ylcyclopropane-1-carboxylic acid

C8H15NO2 — CID 92851533

IUPACcis-(1R,2S)-1-(aminomethyl)-2-propan-2-ylcyclopropane-1-carboxylic acid
SMILESCC(C)[C@@H]1C[C@@]1(CN)C(=O)O
InChIInChI=1S/C8H15NO2/c1-5(2)6-3-8(6,4-9)7(10)11/h5-6H,3-4,9H2,1-2H3,(H,10,11)/t6-,8-/m0/s1
InChIKeyLUEYOYPNOZUDTC-XPUUQOCRSA-N
MW157.21 g/mol
LogP0.69
Rot. Bonds3

About cis-(1R,2S)-1-(aminomethyl)-2-propan-2-ylcyclopropane-1-carboxylic acid

cis-(1R,2S)-1-(aminomethyl)-2-propan-2-ylcyclopropane-1-carboxylic acid (PubChem CID 92851533) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is cis-(1R,2S)-1-(aminomethyl)-2-propan-2-ylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-1-(aminomethyl)-2-propan-2-ylcyclopropane-1-carboxylic acid
PubChem CID92851533
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namecis-(1R,2S)-1-(aminomethyl)-2-propan-2-ylcyclopropane-1-carboxylic acid
SMILESCC(C)[C@@H]1C[C@@]1(CN)C(=O)O
InChIInChI=1S/C8H15NO2/c1-5(2)6-3-8(6,4-9)7(10)11/h5-6H,3-4,9H2,1-2H3,(H,10,11)/t6-,8-/m0/s1
InChIKeyLUEYOYPNOZUDTC-XPUUQOCRSA-N
XLogP0.69
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1-(aminomethyl)-2-propan-2-ylcyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-1-(aminomethyl)-2-propan-2-ylcyclopropane-1-carboxylic acid (CID 92851533) is cis-(1R,2S)-1-(aminomethyl)-2-propan-2-ylcyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-1-(aminomethyl)-2-propan-2-ylcyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-1-(aminomethyl)-2-propan-2-ylcyclopropane-1-carboxylic acid is CC(C)[C@@H]1C[C@@]1(CN)C(=O)O.
What is the InChIKey of cis-(1R,2S)-1-(aminomethyl)-2-propan-2-ylcyclopropane-1-carboxylic acid?
The InChIKey is LUEYOYPNOZUDTC-XPUUQOCRSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5(2)6-3-8(6,4-9)7(10)11/h5-6H,3-4,9H2,1-2H3,(H,10,11)/t6-,8-/m0/s1.
What are the key properties of cis-(1R,2S)-1-(aminomethyl)-2-propan-2-ylcyclopropane-1-carboxylic acid?
cis-(1R,2S)-1-(aminomethyl)-2-propan-2-ylcyclopropane-1-carboxylic acid has a molecular weight of 157.21 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1-(aminomethyl)-2-propan-2-ylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 92851533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).