2,6-bis(carbamoylamino)hexanoic acid

C8H16N4O4 — CID 4868353

IUPAC2,6-bis(carbamoylamino)hexanoic acid
SMILESNC(=O)NCCCCC(NC(N)=O)C(=O)O
InChIInChI=1S/C8H16N4O4/c9-7(15)11-4-2-1-3-5(6(13)14)12-8(10)16/h5H,1-4H2,(H,13,14)(H3,9,11,15)(H3,10,12,16)
InChIKeyMIKBDBZLKXLZTM-UHFFFAOYSA-N
MW232.24 g/mol
LogP-1.05
Rot. Bonds7

About 2,6-bis(carbamoylamino)hexanoic acid

2,6-bis(carbamoylamino)hexanoic acid (PubChem CID 4868353) has the molecular formula C8H16N4O4 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2,6-bis(carbamoylamino)hexanoic acid.

Molecular Properties

Compound Name2,6-bis(carbamoylamino)hexanoic acid
PubChem CID4868353
Molecular FormulaC8H16N4O4
Molecular Weight232.24 g/mol
Exact Mass232.12
IUPAC Name2,6-bis(carbamoylamino)hexanoic acid
SMILESNC(=O)NCCCCC(NC(N)=O)C(=O)O
InChIInChI=1S/C8H16N4O4/c9-7(15)11-4-2-1-3-5(6(13)14)12-8(10)16/h5H,1-4H2,(H,13,14)(H3,9,11,15)(H3,10,12,16)
InChIKeyMIKBDBZLKXLZTM-UHFFFAOYSA-N
XLogP-1.05
TPSA147.54 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-1.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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 2,6-bis(carbamoylamino)hexanoic acid?
The IUPAC name of 2,6-bis(carbamoylamino)hexanoic acid (CID 4868353) is 2,6-bis(carbamoylamino)hexanoic acid.
What is the SMILES notation for 2,6-bis(carbamoylamino)hexanoic acid?
The canonical SMILES for 2,6-bis(carbamoylamino)hexanoic acid is NC(=O)NCCCCC(NC(N)=O)C(=O)O.
What is the InChIKey of 2,6-bis(carbamoylamino)hexanoic acid?
The InChIKey is MIKBDBZLKXLZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O4/c9-7(15)11-4-2-1-3-5(6(13)14)12-8(10)16/h5H,1-4H2,(H,13,14)(H3,9,11,15)(H3,10,12,16).
What are the key properties of 2,6-bis(carbamoylamino)hexanoic acid?
2,6-bis(carbamoylamino)hexanoic acid has a molecular weight of 232.24 g/mol, XLogP of -1.05, 7 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(carbamoylamino)hexanoic acid is sourced from PubChem (CID 4868353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).