4-methyl-6-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]hexanoic acid

C15H30N2O4 — CID 65289853

IUPAC4-methyl-6-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]hexanoic acid
SMILESCC(CCNCC(=O)NCCCOC(C)C)CCC(=O)O
InChIInChI=1S/C15H30N2O4/c1-12(2)21-10-4-8-17-14(18)11-16-9-7-13(3)5-6-15(19)20/h12-13,16H,4-11H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyIAHXPHRIFKLIAD-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.40
Rot. Bonds13

About 4-methyl-6-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]hexanoic acid

4-methyl-6-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]hexanoic acid (PubChem CID 65289853) has the molecular formula C15H30N2O4 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-methyl-6-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]hexanoic acid.

Molecular Properties

Compound Name4-methyl-6-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]hexanoic acid
PubChem CID65289853
Molecular FormulaC15H30N2O4
Molecular Weight302.42 g/mol
Exact Mass302.22
IUPAC Name4-methyl-6-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]hexanoic acid
SMILESCC(CCNCC(=O)NCCCOC(C)C)CCC(=O)O
InChIInChI=1S/C15H30N2O4/c1-12(2)21-10-4-8-17-14(18)11-16-9-7-13(3)5-6-15(19)20/h12-13,16H,4-11H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyIAHXPHRIFKLIAD-UHFFFAOYSA-N
XLogP1.40
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methyl-6-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]hexanoic acid with MolForge

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Related Compounds

6-[[2-(butylamino)-2-oxoethyl]amino]-4-methylhexanoic acid
CID 65289945
4-methyl-6-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]hexanoic acid
CID 65287156
4-methyl-6-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]hexanoic acid
CID 65289786
N-(3-propan-2-yloxypropyl)-2-(prop-2-ynylamino)acetamide
CID 112722354
N-butyl-2-(2-propan-2-yloxyethylamino)acetamide
CID 104760079
5-(4-propan-2-yloxybutanoylamino)pentanoic acid
CID 120687441
(2R)-2-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]propanoic acid
CID 83195053
N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)butanediamide
CID 5167473
4-methyl-6-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]hexanoic acid
CID 65287842
2-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]pentanoic acid
CID 43631920
6-[[2-(ethoxycarbonylamino)-2-oxoethyl]amino]-4-methylhexanoic acid
CID 65287399
4-amino-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride
CID 120558859

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]hexanoic acid?
The IUPAC name of 4-methyl-6-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]hexanoic acid (CID 65289853) is 4-methyl-6-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]hexanoic acid.
What is the SMILES notation for 4-methyl-6-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]hexanoic acid?
The canonical SMILES for 4-methyl-6-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]hexanoic acid is CC(CCNCC(=O)NCCCOC(C)C)CCC(=O)O.
What is the InChIKey of 4-methyl-6-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]hexanoic acid?
The InChIKey is IAHXPHRIFKLIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4/c1-12(2)21-10-4-8-17-14(18)11-16-9-7-13(3)5-6-15(19)20/h12-13,16H,4-11H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 4-methyl-6-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]hexanoic acid?
4-methyl-6-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]hexanoic acid has a molecular weight of 302.42 g/mol, XLogP of 1.40, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]hexanoic acid is sourced from PubChem (CID 65289853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).