6-(azepan-1-yl)-6-oxohexanamide;2,5-diamino-5-oxopentanoic acid

C17H32N4O5 — CID 174933136

IUPAC6-(azepan-1-yl)-6-oxohexanamide;2,5-diamino-5-oxopentanoic acid
SMILESNC(=O)CCC(N)C(=O)O.NC(=O)CCCCC(=O)N1CCCCCC1
InChIInChI=1S/C12H22N2O2.C5H10N2O3/c13-11(15)7-3-4-8-12(16)14-9-5-1-2-6-10-14;6-3(5(9)10)1-2-4(7)8/h1-10H2,(H2,13,15);3H,1-2,6H2,(H2,7,8)(H,9,10)
InChIKeyFSZHZGWAMXDUGD-UHFFFAOYSA-N
MW372.47 g/mol
LogP0.10
Rot. Bonds9

About 6-(azepan-1-yl)-6-oxohexanamide;2,5-diamino-5-oxopentanoic acid

6-(azepan-1-yl)-6-oxohexanamide;2,5-diamino-5-oxopentanoic acid (PubChem CID 174933136) has the molecular formula C17H32N4O5 and a molecular weight of 372.47 g/mol. Its IUPAC name is 6-(azepan-1-yl)-6-oxohexanamide;2,5-diamino-5-oxopentanoic acid.

Molecular Properties

Compound Name6-(azepan-1-yl)-6-oxohexanamide;2,5-diamino-5-oxopentanoic acid
PubChem CID174933136
Molecular FormulaC17H32N4O5
Molecular Weight372.47 g/mol
Exact Mass372.24
IUPAC Name6-(azepan-1-yl)-6-oxohexanamide;2,5-diamino-5-oxopentanoic acid
SMILESNC(=O)CCC(N)C(=O)O.NC(=O)CCCCC(=O)N1CCCCCC1
InChIInChI=1S/C12H22N2O2.C5H10N2O3/c13-11(15)7-3-4-8-12(16)14-9-5-1-2-6-10-14;6-3(5(9)10)1-2-4(7)8/h1-10H2,(H2,13,15);3H,1-2,6H2,(H2,7,8)(H,9,10)
InChIKeyFSZHZGWAMXDUGD-UHFFFAOYSA-N
XLogP0.10
TPSA169.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-(azonan-1-yl)-8-oxooctanamide
CID 54569305
2,5-bis(15N)(azanyl)-5-oxopentanoic acid
CID 87103617
(2S)-2,5-diamino-5-oxo(413C)pentanoic acid
CID 71309916
2,5-diamino-5-oxopentanoic acid
CID 738
6-(azepan-1-yl)-6-oxohexanamide;hexane-1,6-diamine
CID 174378277
6-(azepan-1-yl)-6-oxohexanamide;dodecane
CID 174982677
(2S)-2,6-diamino-6-oxohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid
CID 160740452
aluminum 2,5-diamino-5-oxopentanoic acid
CID 20532187
1,12-bis(azonan-1-yl)dodecane-1,12-dione
CID 20752244
2,5-diamino-5-oxopentanoic acid;dihydrochloride
CID 174895279
2,5-diamino-5-oxopentanoic acid;dihydrate
CID 174966770
(2S)-2,5-diamino-5-oxopentanoic acid;gold
CID 87376233

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-6-oxohexanamide;2,5-diamino-5-oxopentanoic acid?
The IUPAC name of 6-(azepan-1-yl)-6-oxohexanamide;2,5-diamino-5-oxopentanoic acid (CID 174933136) is 6-(azepan-1-yl)-6-oxohexanamide;2,5-diamino-5-oxopentanoic acid.
What is the SMILES notation for 6-(azepan-1-yl)-6-oxohexanamide;2,5-diamino-5-oxopentanoic acid?
The canonical SMILES for 6-(azepan-1-yl)-6-oxohexanamide;2,5-diamino-5-oxopentanoic acid is NC(=O)CCC(N)C(=O)O.NC(=O)CCCCC(=O)N1CCCCCC1.
What is the InChIKey of 6-(azepan-1-yl)-6-oxohexanamide;2,5-diamino-5-oxopentanoic acid?
The InChIKey is FSZHZGWAMXDUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2.C5H10N2O3/c13-11(15)7-3-4-8-12(16)14-9-5-1-2-6-10-14;6-3(5(9)10)1-2-4(7)8/h1-10H2,(H2,13,15);3H,1-2,6H2,(H2,7,8)(H,9,10).
What are the key properties of 6-(azepan-1-yl)-6-oxohexanamide;2,5-diamino-5-oxopentanoic acid?
6-(azepan-1-yl)-6-oxohexanamide;2,5-diamino-5-oxopentanoic acid has a molecular weight of 372.47 g/mol, XLogP of 0.10, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-6-oxohexanamide;2,5-diamino-5-oxopentanoic acid is sourced from PubChem (CID 174933136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).