4-methyl-6-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]hexanoic acid

C14H23N3O4 — CID 65289810

IUPAC4-methyl-6-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]hexanoic acid
SMILESCc1cc(NC(=O)CCNCCC(C)CCC(=O)O)no1
InChIInChI=1S/C14H23N3O4/c1-10(3-4-14(19)20)5-7-15-8-6-13(18)16-12-9-11(2)21-17-12/h9-10,15H,3-8H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyZOTPHLWDOCEPHG-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.79
Rot. Bonds10

About 4-methyl-6-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]hexanoic acid

4-methyl-6-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]hexanoic acid (PubChem CID 65289810) has the molecular formula C14H23N3O4 and a molecular weight of 297.35 g/mol. Its IUPAC name is 4-methyl-6-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]hexanoic acid.

Molecular Properties

Compound Name4-methyl-6-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]hexanoic acid
PubChem CID65289810
Molecular FormulaC14H23N3O4
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Name4-methyl-6-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]hexanoic acid
SMILESCc1cc(NC(=O)CCNCCC(C)CCC(=O)O)no1
InChIInChI=1S/C14H23N3O4/c1-10(3-4-14(19)20)5-7-15-8-6-13(18)16-12-9-11(2)21-17-12/h9-10,15H,3-8H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyZOTPHLWDOCEPHG-UHFFFAOYSA-N
XLogP1.79
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 4-methyl-6-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]hexanoic acid?
The IUPAC name of 4-methyl-6-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]hexanoic acid (CID 65289810) is 4-methyl-6-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]hexanoic acid.
What is the SMILES notation for 4-methyl-6-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]hexanoic acid?
The canonical SMILES for 4-methyl-6-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]hexanoic acid is Cc1cc(NC(=O)CCNCCC(C)CCC(=O)O)no1.
What is the InChIKey of 4-methyl-6-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]hexanoic acid?
The InChIKey is ZOTPHLWDOCEPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-10(3-4-14(19)20)5-7-15-8-6-13(18)16-12-9-11(2)21-17-12/h9-10,15H,3-8H2,1-2H3,(H,19,20)(H,16,17,18).
What are the key properties of 4-methyl-6-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]hexanoic acid?
4-methyl-6-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]hexanoic acid has a molecular weight of 297.35 g/mol, XLogP of 1.79, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]hexanoic acid is sourced from PubChem (CID 65289810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).