2-methyl-3-[methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]propanoic acid

C13H26N2O4 — CID 55007746

IUPAC2-methyl-3-[methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]propanoic acid
SMILESCC(C)OCCCNC(=O)CN(C)CC(C)C(=O)O
InChIInChI=1S/C13H26N2O4/c1-10(2)19-7-5-6-14-12(16)9-15(4)8-11(3)13(17)18/h10-11H,5-9H2,1-4H3,(H,14,16)(H,17,18)
InChIKeyYRNHQPWHAPXZMN-UHFFFAOYSA-N
MW274.36 g/mol
LogP0.57
Rot. Bonds10

About 2-methyl-3-[methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]propanoic acid

2-methyl-3-[methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]propanoic acid (PubChem CID 55007746) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]propanoic acid
PubChem CID55007746
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name2-methyl-3-[methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]propanoic acid
SMILESCC(C)OCCCNC(=O)CN(C)CC(C)C(=O)O
InChIInChI=1S/C13H26N2O4/c1-10(2)19-7-5-6-14-12(16)9-15(4)8-11(3)13(17)18/h10-11H,5-9H2,1-4H3,(H,14,16)(H,17,18)
InChIKeyYRNHQPWHAPXZMN-UHFFFAOYSA-N
XLogP0.57
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-hydroxypropyl(methyl)amino]-N-(3-propan-2-yloxypropyl)acetamide
CID 55061227
2-[methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]acetic acid
CID 43442393
2-(dimethylamino)-N-(3-propan-2-yloxypropyl)acetamide
CID 156560781
(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
2-[methyl(piperidin-2-ylmethyl)amino]-N-(3-propan-2-yloxypropyl)acetamide
CID 106635112
2-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]pentanoic acid
CID 43631920
2-[2-hydroxyethyl(propyl)amino]-N-(3-propan-2-yloxypropyl)acetamide
CID 60696638
2-[N-(dimethylsulfamoyl)anilino]-N-(3-propan-2-yloxypropyl)acetamide
CID 17200342
8-methyl-N-(3-propan-2-yloxypropyl)nonanamide
CID 147959666
2-[(2-hydroxycyclohexyl)-methylamino]-N-(3-propan-2-yloxypropyl)acetamide
CID 102636534
2-chloro-N-(4-propan-2-yloxybutyl)acetamide
CID 82109645

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]propanoic acid (CID 55007746) is 2-methyl-3-[methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]propanoic acid is CC(C)OCCCNC(=O)CN(C)CC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]propanoic acid?
The InChIKey is YRNHQPWHAPXZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-10(2)19-7-5-6-14-12(16)9-15(4)8-11(3)13(17)18/h10-11H,5-9H2,1-4H3,(H,14,16)(H,17,18).
What are the key properties of 2-methyl-3-[methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]propanoic acid?
2-methyl-3-[methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]propanoic acid has a molecular weight of 274.36 g/mol, XLogP of 0.57, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]propanoic acid is sourced from PubChem (CID 55007746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).