6-acetamido-2-iminohexanoic acid

C8H14N2O3 — CID 176706839

IUPAC6-acetamido-2-iminohexanoic acid
SMILES[H]/N=C(\CCCCNC(C)=O)C(=O)O
InChIInChI=1S/C8H14N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h9H,2-5H2,1H3,(H,10,11)(H,12,13)/b9-7+
InChIKeyNIPGEIQNYRUZGP-VQHVLOKHSA-N
MW186.21 g/mol
LogP0.40
Rot. Bonds6

About 6-acetamido-2-iminohexanoic acid

6-acetamido-2-iminohexanoic acid (PubChem CID 176706839) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 6-acetamido-2-iminohexanoic acid.

Molecular Properties

Compound Name6-acetamido-2-iminohexanoic acid
PubChem CID176706839
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name6-acetamido-2-iminohexanoic acid
SMILES[H]/N=C(\CCCCNC(C)=O)C(=O)O
InChIInChI=1S/C8H14N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h9H,2-5H2,1H3,(H,10,11)(H,12,13)/b9-7+
InChIKeyNIPGEIQNYRUZGP-VQHVLOKHSA-N
XLogP0.40
TPSA90.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-iminohexanoic acid
CID 54447751
CID 161078070
CID 161078070
6-acetamidohexanoic acid;methane
CID 163527023
N-(8-oxononyl)acetamide
CID 58114719
N-(3-acetamidopropyl)acetamide
CID 5147555
N-[4-(4-acetamidobutylamino)butyl]acetamide
CID 10332037
N-[4-(4-acetamidobutylcarbamoylamino)butyl]acetamide
CID 144980902
6-[6-(6-acetamidohexanoylamino)hexanoylamino]hexanoic acid
CID 59079185
5-acetamido-N-ethylpentanamide
CID 145189248
N-(10-oxododecyl)acetamide
CID 164677162
5-(dimethylaminomethylideneamino)-2-iminopentanoic acid
CID 102300766
5-acetamido-N-butylpentanamide
CID 123729472

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-2-iminohexanoic acid?
The IUPAC name of 6-acetamido-2-iminohexanoic acid (CID 176706839) is 6-acetamido-2-iminohexanoic acid.
What is the SMILES notation for 6-acetamido-2-iminohexanoic acid?
The canonical SMILES for 6-acetamido-2-iminohexanoic acid is [H]/N=C(\CCCCNC(C)=O)C(=O)O.
What is the InChIKey of 6-acetamido-2-iminohexanoic acid?
The InChIKey is NIPGEIQNYRUZGP-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h9H,2-5H2,1H3,(H,10,11)(H,12,13)/b9-7+.
What are the key properties of 6-acetamido-2-iminohexanoic acid?
6-acetamido-2-iminohexanoic acid has a molecular weight of 186.21 g/mol, XLogP of 0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-2-iminohexanoic acid is sourced from PubChem (CID 176706839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).