(2S)-2-aminopropanoic acid;6-methylcyclohex-2-en-1-one

C10H17NO3 — CID 143687335

IUPAC(2S)-2-aminopropanoic acid;6-methylcyclohex-2-en-1-one
SMILESCC1CCC=CC1=O.C[C@H](N)C(=O)O
InChIInChI=1S/C7H10O.C3H7NO2/c1-6-4-2-3-5-7(6)8;1-2(4)3(5)6/h3,5-6H,2,4H2,1H3;2H,4H2,1H3,(H,5,6)/t;2-/m.0/s1
InChIKeyFJJZBANYCOQDAL-WNQIDUERSA-N
MW199.25 g/mol
LogP0.96
Rot. Bonds1

About (2S)-2-aminopropanoic acid;6-methylcyclohex-2-en-1-one

(2S)-2-aminopropanoic acid;6-methylcyclohex-2-en-1-one (PubChem CID 143687335) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (2S)-2-aminopropanoic acid;6-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(2S)-2-aminopropanoic acid;6-methylcyclohex-2-en-1-one
PubChem CID143687335
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(2S)-2-aminopropanoic acid;6-methylcyclohex-2-en-1-one
SMILESCC1CCC=CC1=O.C[C@H](N)C(=O)O
InChIInChI=1S/C7H10O.C3H7NO2/c1-6-4-2-3-5-7(6)8;1-2(4)3(5)6/h3,5-6H,2,4H2,1H3;2H,4H2,1H3,(H,5,6)/t;2-/m.0/s1
InChIKeyFJJZBANYCOQDAL-WNQIDUERSA-N
XLogP0.96
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopropanoic acid;6-methylcyclohex-2-en-1-one?
The IUPAC name of (2S)-2-aminopropanoic acid;6-methylcyclohex-2-en-1-one (CID 143687335) is (2S)-2-aminopropanoic acid;6-methylcyclohex-2-en-1-one.
What is the SMILES notation for (2S)-2-aminopropanoic acid;6-methylcyclohex-2-en-1-one?
The canonical SMILES for (2S)-2-aminopropanoic acid;6-methylcyclohex-2-en-1-one is CC1CCC=CC1=O.C[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-aminopropanoic acid;6-methylcyclohex-2-en-1-one?
The InChIKey is FJJZBANYCOQDAL-WNQIDUERSA-N. The full InChI is InChI=1S/C7H10O.C3H7NO2/c1-6-4-2-3-5-7(6)8;1-2(4)3(5)6/h3,5-6H,2,4H2,1H3;2H,4H2,1H3,(H,5,6)/t;2-/m.0/s1.
What are the key properties of (2S)-2-aminopropanoic acid;6-methylcyclohex-2-en-1-one?
(2S)-2-aminopropanoic acid;6-methylcyclohex-2-en-1-one has a molecular weight of 199.25 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopropanoic acid;6-methylcyclohex-2-en-1-one is sourced from PubChem (CID 143687335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).