(2S)-2-methyl-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid

C13H24N2O4 — CID 157029144

IUPAC(2S)-2-methyl-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid
SMILESC[C@@H](CCCCNC(=O)CN1CCOCC1)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-11(13(17)18)4-2-3-5-14-12(16)10-15-6-8-19-9-7-15/h11H,2-10H2,1H3,(H,14,16)(H,17,18)/t11-/m0/s1
InChIKeyHZIUAMBIHIJPBX-NSHDSACASA-N
MW272.34 g/mol
LogP0.33
Rot. Bonds8

About (2S)-2-methyl-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid

(2S)-2-methyl-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid (PubChem CID 157029144) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is (2S)-2-methyl-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-methyl-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid
PubChem CID157029144
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name(2S)-2-methyl-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid
SMILESC[C@@H](CCCCNC(=O)CN1CCOCC1)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-11(13(17)18)4-2-3-5-14-12(16)10-15-6-8-19-9-7-15/h11H,2-10H2,1H3,(H,14,16)(H,17,18)/t11-/m0/s1
InChIKeyHZIUAMBIHIJPBX-NSHDSACASA-N
XLogP0.33
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid?
The IUPAC name of (2S)-2-methyl-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid (CID 157029144) is (2S)-2-methyl-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid.
What is the SMILES notation for (2S)-2-methyl-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid?
The canonical SMILES for (2S)-2-methyl-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid is C[C@@H](CCCCNC(=O)CN1CCOCC1)C(=O)O.
What is the InChIKey of (2S)-2-methyl-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid?
The InChIKey is HZIUAMBIHIJPBX-NSHDSACASA-N. The full InChI is InChI=1S/C13H24N2O4/c1-11(13(17)18)4-2-3-5-14-12(16)10-15-6-8-19-9-7-15/h11H,2-10H2,1H3,(H,14,16)(H,17,18)/t11-/m0/s1.
What are the key properties of (2S)-2-methyl-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid?
(2S)-2-methyl-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid has a molecular weight of 272.34 g/mol, XLogP of 0.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid is sourced from PubChem (CID 157029144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).