(2R)-3-cyclohexyl-2-[methyl(2-oxopropyl)amino]propanoic acid

C13H23NO3 — CID 59900099

IUPAC(2R)-3-cyclohexyl-2-[methyl(2-oxopropyl)amino]propanoic acid
SMILESCC(=O)CN(C)[C@H](CC1CCCCC1)C(=O)O
InChIInChI=1S/C13H23NO3/c1-10(15)9-14(2)12(13(16)17)8-11-6-4-3-5-7-11/h11-12H,3-9H2,1-2H3,(H,16,17)/t12-/m1/s1
InChIKeyRISBDSBFYAFOOC-GFCCVEGCSA-N
MW241.33 g/mol
LogP1.93
Rot. Bonds6

About (2R)-3-cyclohexyl-2-[methyl(2-oxopropyl)amino]propanoic acid

(2R)-3-cyclohexyl-2-[methyl(2-oxopropyl)amino]propanoic acid (PubChem CID 59900099) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is (2R)-3-cyclohexyl-2-[methyl(2-oxopropyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-cyclohexyl-2-[methyl(2-oxopropyl)amino]propanoic acid
PubChem CID59900099
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name(2R)-3-cyclohexyl-2-[methyl(2-oxopropyl)amino]propanoic acid
SMILESCC(=O)CN(C)[C@H](CC1CCCCC1)C(=O)O
InChIInChI=1S/C13H23NO3/c1-10(15)9-14(2)12(13(16)17)8-11-6-4-3-5-7-11/h11-12H,3-9H2,1-2H3,(H,16,17)/t12-/m1/s1
InChIKeyRISBDSBFYAFOOC-GFCCVEGCSA-N
XLogP1.93
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-cyclohexyl-2-[methyl(2-oxopropyl)amino]propanoic acid?
The IUPAC name of (2R)-3-cyclohexyl-2-[methyl(2-oxopropyl)amino]propanoic acid (CID 59900099) is (2R)-3-cyclohexyl-2-[methyl(2-oxopropyl)amino]propanoic acid.
What is the SMILES notation for (2R)-3-cyclohexyl-2-[methyl(2-oxopropyl)amino]propanoic acid?
The canonical SMILES for (2R)-3-cyclohexyl-2-[methyl(2-oxopropyl)amino]propanoic acid is CC(=O)CN(C)[C@H](CC1CCCCC1)C(=O)O.
What is the InChIKey of (2R)-3-cyclohexyl-2-[methyl(2-oxopropyl)amino]propanoic acid?
The InChIKey is RISBDSBFYAFOOC-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H23NO3/c1-10(15)9-14(2)12(13(16)17)8-11-6-4-3-5-7-11/h11-12H,3-9H2,1-2H3,(H,16,17)/t12-/m1/s1.
What are the key properties of (2R)-3-cyclohexyl-2-[methyl(2-oxopropyl)amino]propanoic acid?
(2R)-3-cyclohexyl-2-[methyl(2-oxopropyl)amino]propanoic acid has a molecular weight of 241.33 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-cyclohexyl-2-[methyl(2-oxopropyl)amino]propanoic acid is sourced from PubChem (CID 59900099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).