cyclohexyl (2S)-2-aminopropanoate

C9H17NO2 — CID 20598689

IUPACcyclohexyl (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)OC1CCCCC1
InChIInChI=1S/C9H17NO2/c1-7(10)9(11)12-8-5-3-2-4-6-8/h7-8H,2-6,10H2,1H3/t7-/m0/s1
InChIKeyBYAGYQXRLBVKTP-ZETCQYMHSA-N
MW171.24 g/mol
LogP1.21
Rot. Bonds2

About cyclohexyl (2S)-2-aminopropanoate

cyclohexyl (2S)-2-aminopropanoate (PubChem CID 20598689) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is cyclohexyl (2S)-2-aminopropanoate.

Molecular Properties

Compound Namecyclohexyl (2S)-2-aminopropanoate
PubChem CID20598689
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namecyclohexyl (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)OC1CCCCC1
InChIInChI=1S/C9H17NO2/c1-7(10)9(11)12-8-5-3-2-4-6-8/h7-8H,2-6,10H2,1H3/t7-/m0/s1
InChIKeyBYAGYQXRLBVKTP-ZETCQYMHSA-N
XLogP1.21
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl (2S)-2-aminopropanoate?
The IUPAC name of cyclohexyl (2S)-2-aminopropanoate (CID 20598689) is cyclohexyl (2S)-2-aminopropanoate.
What is the SMILES notation for cyclohexyl (2S)-2-aminopropanoate?
The canonical SMILES for cyclohexyl (2S)-2-aminopropanoate is C[C@H](N)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl (2S)-2-aminopropanoate?
The InChIKey is BYAGYQXRLBVKTP-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(10)9(11)12-8-5-3-2-4-6-8/h7-8H,2-6,10H2,1H3/t7-/m0/s1.
What are the key properties of cyclohexyl (2S)-2-aminopropanoate?
cyclohexyl (2S)-2-aminopropanoate has a molecular weight of 171.24 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl (2S)-2-aminopropanoate is sourced from PubChem (CID 20598689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).