(2S)-3-cyclohexyl-2-[(2-methoxyacetyl)amino]propanoic acid

C12H21NO4 — CID 142084106

IUPAC(2S)-3-cyclohexyl-2-[(2-methoxyacetyl)amino]propanoic acid
SMILESCOCC(=O)N[C@@H](CC1CCCCC1)C(=O)O
InChIInChI=1S/C12H21NO4/c1-17-8-11(14)13-10(12(15)16)7-9-5-3-2-4-6-9/h9-10H,2-8H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1
InChIKeyFISHZBAIHWDDEK-JTQLQIEISA-N
MW243.30 g/mol
LogP1.17
Rot. Bonds6

About (2S)-3-cyclohexyl-2-[(2-methoxyacetyl)amino]propanoic acid

(2S)-3-cyclohexyl-2-[(2-methoxyacetyl)amino]propanoic acid (PubChem CID 142084106) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is (2S)-3-cyclohexyl-2-[(2-methoxyacetyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-cyclohexyl-2-[(2-methoxyacetyl)amino]propanoic acid
PubChem CID142084106
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name(2S)-3-cyclohexyl-2-[(2-methoxyacetyl)amino]propanoic acid
SMILESCOCC(=O)N[C@@H](CC1CCCCC1)C(=O)O
InChIInChI=1S/C12H21NO4/c1-17-8-11(14)13-10(12(15)16)7-9-5-3-2-4-6-9/h9-10H,2-8H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1
InChIKeyFISHZBAIHWDDEK-JTQLQIEISA-N
XLogP1.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclohexyl-2-[(2-methoxyacetyl)amino]propanoic acid?
The IUPAC name of (2S)-3-cyclohexyl-2-[(2-methoxyacetyl)amino]propanoic acid (CID 142084106) is (2S)-3-cyclohexyl-2-[(2-methoxyacetyl)amino]propanoic acid.
What is the SMILES notation for (2S)-3-cyclohexyl-2-[(2-methoxyacetyl)amino]propanoic acid?
The canonical SMILES for (2S)-3-cyclohexyl-2-[(2-methoxyacetyl)amino]propanoic acid is COCC(=O)N[C@@H](CC1CCCCC1)C(=O)O.
What is the InChIKey of (2S)-3-cyclohexyl-2-[(2-methoxyacetyl)amino]propanoic acid?
The InChIKey is FISHZBAIHWDDEK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21NO4/c1-17-8-11(14)13-10(12(15)16)7-9-5-3-2-4-6-9/h9-10H,2-8H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-3-cyclohexyl-2-[(2-methoxyacetyl)amino]propanoic acid?
(2S)-3-cyclohexyl-2-[(2-methoxyacetyl)amino]propanoic acid has a molecular weight of 243.30 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclohexyl-2-[(2-methoxyacetyl)amino]propanoic acid is sourced from PubChem (CID 142084106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).