4-(5-methoxypentanoylamino)-4-methylpentanoic acid

C12H23NO4 — CID 119203844

IUPAC4-(5-methoxypentanoylamino)-4-methylpentanoic acid
SMILESCOCCCCC(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C12H23NO4/c1-12(2,8-7-11(15)16)13-10(14)6-4-5-9-17-3/h4-9H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyHANYJCLQQFEDSD-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.56
Rot. Bonds9

About 4-(5-methoxypentanoylamino)-4-methylpentanoic acid

4-(5-methoxypentanoylamino)-4-methylpentanoic acid (PubChem CID 119203844) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-(5-methoxypentanoylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name4-(5-methoxypentanoylamino)-4-methylpentanoic acid
PubChem CID119203844
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name4-(5-methoxypentanoylamino)-4-methylpentanoic acid
SMILESCOCCCCC(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C12H23NO4/c1-12(2,8-7-11(15)16)13-10(14)6-4-5-9-17-3/h4-9H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyHANYJCLQQFEDSD-UHFFFAOYSA-N
XLogP1.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-4-(4-phenoxybutanoylamino)pentanoic acid
CID 62041775
4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid
CID 102113261
4-[4-(4-methoxyphenyl)butanoylamino]-4-methylpentanoic acid
CID 119203801
5-(5-methoxypentanoylamino)pentanoic acid
CID 119234359
N-(2,2-dimethylpropanoyl)-9-methoxynonanamide
CID 54243530
4-[3-(ethylamino)propanoylamino]-4-methylpentanoic acid
CID 62836158
4-methyl-4-[(4-methyl-4-nitropentanoyl)amino]pentanoic acid
CID 10880301
N-tert-butyl-3-(4-methoxybutylamino)propanamide
CID 115605378
4-[3-(3,5-dimethoxyphenyl)propanoylamino]-4-methylpentanoic acid
CID 119204166
4-(3-cyclopentylpropanoylamino)-4-methylpentanoic acid
CID 62041962
tert-butyl 2-(12-methoxydodecanoylamino)acetate
CID 15432302
4-[4-[(4-fluorobenzoyl)amino]butanoylamino]-4-methylpentanoic acid
CID 119204694

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxypentanoylamino)-4-methylpentanoic acid?
The IUPAC name of 4-(5-methoxypentanoylamino)-4-methylpentanoic acid (CID 119203844) is 4-(5-methoxypentanoylamino)-4-methylpentanoic acid.
What is the SMILES notation for 4-(5-methoxypentanoylamino)-4-methylpentanoic acid?
The canonical SMILES for 4-(5-methoxypentanoylamino)-4-methylpentanoic acid is COCCCCC(=O)NC(C)(C)CCC(=O)O.
What is the InChIKey of 4-(5-methoxypentanoylamino)-4-methylpentanoic acid?
The InChIKey is HANYJCLQQFEDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-12(2,8-7-11(15)16)13-10(14)6-4-5-9-17-3/h4-9H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 4-(5-methoxypentanoylamino)-4-methylpentanoic acid?
4-(5-methoxypentanoylamino)-4-methylpentanoic acid has a molecular weight of 245.32 g/mol, XLogP of 1.56, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxypentanoylamino)-4-methylpentanoic acid is sourced from PubChem (CID 119203844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).