6-[6-[prop-2-enoyl-(prop-2-enoylamino)amino]hexanoylamino]hexanoic acid

C18H29N3O5 — CID 139983264

IUPAC6-[6-[prop-2-enoyl-(prop-2-enoylamino)amino]hexanoylamino]hexanoic acid
SMILESC=CC(=O)NN(CCCCCC(=O)NCCCCCC(=O)O)C(=O)C=C
InChIInChI=1S/C18H29N3O5/c1-3-15(22)20-21(17(24)4-2)14-10-6-7-11-16(23)19-13-9-5-8-12-18(25)26/h3-4H,1-2,5-14H2,(H,19,23)(H,20,22)(H,25,26)
InChIKeyFRYWVZOSOLHREE-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.54
Rot. Bonds14

About 6-[6-[prop-2-enoyl-(prop-2-enoylamino)amino]hexanoylamino]hexanoic acid

6-[6-[prop-2-enoyl-(prop-2-enoylamino)amino]hexanoylamino]hexanoic acid (PubChem CID 139983264) has the molecular formula C18H29N3O5 and a molecular weight of 367.45 g/mol. Its IUPAC name is 6-[6-[prop-2-enoyl-(prop-2-enoylamino)amino]hexanoylamino]hexanoic acid.

Molecular Properties

Compound Name6-[6-[prop-2-enoyl-(prop-2-enoylamino)amino]hexanoylamino]hexanoic acid
PubChem CID139983264
Molecular FormulaC18H29N3O5
Molecular Weight367.45 g/mol
Exact Mass367.21
IUPAC Name6-[6-[prop-2-enoyl-(prop-2-enoylamino)amino]hexanoylamino]hexanoic acid
SMILESC=CC(=O)NN(CCCCCC(=O)NCCCCCC(=O)O)C(=O)C=C
InChIInChI=1S/C18H29N3O5/c1-3-15(22)20-21(17(24)4-2)14-10-6-7-11-16(23)19-13-9-5-8-12-18(25)26/h3-4H,1-2,5-14H2,(H,19,23)(H,20,22)(H,25,26)
InChIKeyFRYWVZOSOLHREE-UHFFFAOYSA-N
XLogP1.54
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[6-[prop-2-enoyl-(prop-2-enoylamino)amino]hexanoylamino]hexanoic acid?
The IUPAC name of 6-[6-[prop-2-enoyl-(prop-2-enoylamino)amino]hexanoylamino]hexanoic acid (CID 139983264) is 6-[6-[prop-2-enoyl-(prop-2-enoylamino)amino]hexanoylamino]hexanoic acid.
What is the SMILES notation for 6-[6-[prop-2-enoyl-(prop-2-enoylamino)amino]hexanoylamino]hexanoic acid?
The canonical SMILES for 6-[6-[prop-2-enoyl-(prop-2-enoylamino)amino]hexanoylamino]hexanoic acid is C=CC(=O)NN(CCCCCC(=O)NCCCCCC(=O)O)C(=O)C=C.
What is the InChIKey of 6-[6-[prop-2-enoyl-(prop-2-enoylamino)amino]hexanoylamino]hexanoic acid?
The InChIKey is FRYWVZOSOLHREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O5/c1-3-15(22)20-21(17(24)4-2)14-10-6-7-11-16(23)19-13-9-5-8-12-18(25)26/h3-4H,1-2,5-14H2,(H,19,23)(H,20,22)(H,25,26).
What are the key properties of 6-[6-[prop-2-enoyl-(prop-2-enoylamino)amino]hexanoylamino]hexanoic acid?
6-[6-[prop-2-enoyl-(prop-2-enoylamino)amino]hexanoylamino]hexanoic acid has a molecular weight of 367.45 g/mol, XLogP of 1.54, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[prop-2-enoyl-(prop-2-enoylamino)amino]hexanoylamino]hexanoic acid is sourced from PubChem (CID 139983264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).