(2S)-2,6-diacetamidohexanoic acid

C10H18N2O4 — CID 7019608

IUPAC(2S)-2,6-diacetamidohexanoic acid
SMILESCC(=O)NCCCC[C@H](NC(C)=O)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-7(13)11-6-4-3-5-9(10(15)16)12-8(2)14/h9H,3-6H2,1-2H3,(H,11,13)(H,12,14)(H,15,16)/t9-/m0/s1
InChIKeyZHZUEHHBTYJTKY-VIFPVBQESA-N
MW230.26 g/mol
LogP-0.12
Rot. Bonds7

About (2S)-2,6-diacetamidohexanoic acid

(2S)-2,6-diacetamidohexanoic acid (PubChem CID 7019608) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2S)-2,6-diacetamidohexanoic acid.

Molecular Properties

Compound Name(2S)-2,6-diacetamidohexanoic acid
PubChem CID7019608
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(2S)-2,6-diacetamidohexanoic acid
SMILESCC(=O)NCCCC[C@H](NC(C)=O)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-7(13)11-6-4-3-5-9(10(15)16)12-8(2)14/h9H,3-6H2,1-2H3,(H,11,13)(H,12,14)(H,15,16)/t9-/m0/s1
InChIKeyZHZUEHHBTYJTKY-VIFPVBQESA-N
XLogP-0.12
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

epsilon-Acetyl-L-lysine
CID 92832
N-Acetyl-L-ornithine
CID 439232
6-Acetylaminocaproic acid
CID 2005
Hexanoylglycine
CID 99463
N-Acetyl-L-Lysine
CID 92907
epsilon-Methyl-L-lysine
CID 164795
Nepsilon-(Carboxymethyl)lysine
CID 123800
Pegvaliase
CID 86278362
Acetyllysine
CID 6991978
(2S)-2-acetamido-6-azaniumylhexanoate
CID 6992697
Glu-Lys
CID 7015704
Suberylglycine
CID 6453952

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diacetamidohexanoic acid?
The IUPAC name of (2S)-2,6-diacetamidohexanoic acid (CID 7019608) is (2S)-2,6-diacetamidohexanoic acid.
What is the SMILES notation for (2S)-2,6-diacetamidohexanoic acid?
The canonical SMILES for (2S)-2,6-diacetamidohexanoic acid is CC(=O)NCCCC[C@H](NC(C)=O)C(=O)O.
What is the InChIKey of (2S)-2,6-diacetamidohexanoic acid?
The InChIKey is ZHZUEHHBTYJTKY-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18N2O4/c1-7(13)11-6-4-3-5-9(10(15)16)12-8(2)14/h9H,3-6H2,1-2H3,(H,11,13)(H,12,14)(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-2,6-diacetamidohexanoic acid?
(2S)-2,6-diacetamidohexanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.12, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diacetamidohexanoic acid is sourced from PubChem (CID 7019608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).