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

C13H26N2O4 — CID 43631920

IUPAC2-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]pentanoic acid
SMILESCCCC(NCC(=O)NCCCOC(C)C)C(=O)O
InChIInChI=1S/C13H26N2O4/c1-4-6-11(13(17)18)15-9-12(16)14-7-5-8-19-10(2)3/h10-11,15H,4-9H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyWXOQTJKMCCZEAW-UHFFFAOYSA-N
MW274.36 g/mol
LogP0.76
Rot. Bonds11

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

2-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]pentanoic acid (PubChem CID 43631920) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]pentanoic acid
PubChem CID43631920
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name2-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]pentanoic acid
SMILESCCCC(NCC(=O)NCCCOC(C)C)C(=O)O
InChIInChI=1S/C13H26N2O4/c1-4-6-11(13(17)18)15-9-12(16)14-7-5-8-19-10(2)3/h10-11,15H,4-9H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyWXOQTJKMCCZEAW-UHFFFAOYSA-N
XLogP0.76
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]propanoic acid
CID 83195053
2-ethoxy-N-(3-propan-2-yloxypropyl)acetamide
CID 60638133
2-[[2-oxo-2-(3-phenylpropylamino)ethyl]amino]pentanoic acid
CID 43631427
2-(3-propan-2-yloxypropanoylamino)pentanoic acid
CID 115923937
N-heptyl-N'-(3-propan-2-yloxypropyl)butanediamide
CID 4554473
N-butyl-2-(2-propan-2-yloxyethylamino)acetamide
CID 104760079
2-[[2-(ethylamino)-2-oxoethyl]amino]hexanoic acid
CID 103238421
2-(propan-2-ylamino)-N-(2-propan-2-yloxyethyl)acetamide
CID 104761099
3-amino-N-(4-propan-2-yloxybutyl)hexanamide
CID 106011504
4-methyl-6-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]hexanoic acid
CID 65289853
N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)butanediamide
CID 5167473
4-(2-propan-2-yloxyethoxy)-2-(propylamino)butanoic acid
CID 55144727

Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]pentanoic acid?
The IUPAC name of 2-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]pentanoic acid (CID 43631920) is 2-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]pentanoic acid?
The canonical SMILES for 2-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]pentanoic acid is CCCC(NCC(=O)NCCCOC(C)C)C(=O)O.
What is the InChIKey of 2-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]pentanoic acid?
The InChIKey is WXOQTJKMCCZEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-4-6-11(13(17)18)15-9-12(16)14-7-5-8-19-10(2)3/h10-11,15H,4-9H2,1-3H3,(H,14,16)(H,17,18).
What are the key properties of 2-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]pentanoic acid?
2-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]pentanoic acid has a molecular weight of 274.36 g/mol, XLogP of 0.76, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]pentanoic acid is sourced from PubChem (CID 43631920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).