6-[[4-[[[(Z)-but-2-enoyl]-formylamino]methyl]cyclohexanecarbonyl]amino]hexanoic acid

C19H30N2O5 — CID 143551429

IUPAC6-[[4-[[[(Z)-but-2-enoyl]-formylamino]methyl]cyclohexanecarbonyl]amino]hexanoic acid
SMILESC/C=C\C(=O)N(C=O)CC1CCC(C(=O)NCCCCCC(=O)O)CC1
InChIInChI=1S/C19H30N2O5/c1-2-6-17(23)21(14-22)13-15-8-10-16(11-9-15)19(26)20-12-5-3-4-7-18(24)25/h2,6,14-16H,3-5,7-13H2,1H3,(H,20,26)(H,24,25)/b6-2-
InChIKeyUEINUGXGKNPHHV-KXFIGUGUSA-N
MW366.46 g/mol
LogP2.12
Rot. Bonds11

About 6-[[4-[[[(Z)-but-2-enoyl]-formylamino]methyl]cyclohexanecarbonyl]amino]hexanoic acid

6-[[4-[[[(Z)-but-2-enoyl]-formylamino]methyl]cyclohexanecarbonyl]amino]hexanoic acid (PubChem CID 143551429) has the molecular formula C19H30N2O5 and a molecular weight of 366.46 g/mol. Its IUPAC name is 6-[[4-[[[(Z)-but-2-enoyl]-formylamino]methyl]cyclohexanecarbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[4-[[[(Z)-but-2-enoyl]-formylamino]methyl]cyclohexanecarbonyl]amino]hexanoic acid
PubChem CID143551429
Molecular FormulaC19H30N2O5
Molecular Weight366.46 g/mol
Exact Mass366.22
IUPAC Name6-[[4-[[[(Z)-but-2-enoyl]-formylamino]methyl]cyclohexanecarbonyl]amino]hexanoic acid
SMILESC/C=C\C(=O)N(C=O)CC1CCC(C(=O)NCCCCCC(=O)O)CC1
InChIInChI=1S/C19H30N2O5/c1-2-6-17(23)21(14-22)13-15-8-10-16(11-9-15)19(26)20-12-5-3-4-7-18(24)25/h2,6,14-16H,3-5,7-13H2,1H3,(H,20,26)(H,24,25)/b6-2-
InChIKeyUEINUGXGKNPHHV-KXFIGUGUSA-N
XLogP2.12
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-[[[(Z)-but-2-enoyl]-formylamino]methyl]cyclohexanecarbonyl]amino]hexanoic acid?
The IUPAC name of 6-[[4-[[[(Z)-but-2-enoyl]-formylamino]methyl]cyclohexanecarbonyl]amino]hexanoic acid (CID 143551429) is 6-[[4-[[[(Z)-but-2-enoyl]-formylamino]methyl]cyclohexanecarbonyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[4-[[[(Z)-but-2-enoyl]-formylamino]methyl]cyclohexanecarbonyl]amino]hexanoic acid?
The canonical SMILES for 6-[[4-[[[(Z)-but-2-enoyl]-formylamino]methyl]cyclohexanecarbonyl]amino]hexanoic acid is C/C=C\C(=O)N(C=O)CC1CCC(C(=O)NCCCCCC(=O)O)CC1.
What is the InChIKey of 6-[[4-[[[(Z)-but-2-enoyl]-formylamino]methyl]cyclohexanecarbonyl]amino]hexanoic acid?
The InChIKey is UEINUGXGKNPHHV-KXFIGUGUSA-N. The full InChI is InChI=1S/C19H30N2O5/c1-2-6-17(23)21(14-22)13-15-8-10-16(11-9-15)19(26)20-12-5-3-4-7-18(24)25/h2,6,14-16H,3-5,7-13H2,1H3,(H,20,26)(H,24,25)/b6-2-.
What are the key properties of 6-[[4-[[[(Z)-but-2-enoyl]-formylamino]methyl]cyclohexanecarbonyl]amino]hexanoic acid?
6-[[4-[[[(Z)-but-2-enoyl]-formylamino]methyl]cyclohexanecarbonyl]amino]hexanoic acid has a molecular weight of 366.46 g/mol, XLogP of 2.12, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[[[(Z)-but-2-enoyl]-formylamino]methyl]cyclohexanecarbonyl]amino]hexanoic acid is sourced from PubChem (CID 143551429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).