4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)butanoic acid

C13H28N2O3 — CID 81074467

IUPAC4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)butanoic acid
SMILESCCCNC(CCN(C)CCOC(C)C)C(=O)O
InChIInChI=1S/C13H28N2O3/c1-5-7-14-12(13(16)17)6-8-15(4)9-10-18-11(2)3/h11-12,14H,5-10H2,1-4H3,(H,16,17)
InChIKeyJUUXIVQHVRXIRV-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.19
Rot. Bonds11

About 4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)butanoic acid

4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)butanoic acid (PubChem CID 81074467) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)butanoic acid.

Molecular Properties

Compound Name4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)butanoic acid
PubChem CID81074467
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Name4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)butanoic acid
SMILESCCCNC(CCN(C)CCOC(C)C)C(=O)O
InChIInChI=1S/C13H28N2O3/c1-5-7-14-12(13(16)17)6-8-15(4)9-10-18-11(2)3/h11-12,14H,5-10H2,1-4H3,(H,16,17)
InChIKeyJUUXIVQHVRXIRV-UHFFFAOYSA-N
XLogP1.19
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanoic acid
CID 81062128
4-(2-propan-2-yloxyethoxy)-2-(propylamino)butanoic acid
CID 55144727
ethyl 4-[methyl(3-methylbutyl)amino]-2-(propylamino)butanoate
CID 63055201
4-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)butanoic acid
CID 63054650
4-[methyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid
CID 63028232
3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propanoic acid
CID 81061472
2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid
CID 81058135
4-(3-methylbutoxy)-2-(propylamino)butanoic acid
CID 63039470
3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)propan-1-ol
CID 81063408
methyl 4-[butyl(methyl)amino]-2-(propylamino)butanoate
CID 63027533
2-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]pentanoic acid
CID 43631920
4-ethoxy-2-(propylamino)butanoic acid
CID 63039311

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)butanoic acid?
The IUPAC name of 4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)butanoic acid (CID 81074467) is 4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)butanoic acid.
What is the SMILES notation for 4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)butanoic acid?
The canonical SMILES for 4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)butanoic acid is CCCNC(CCN(C)CCOC(C)C)C(=O)O.
What is the InChIKey of 4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)butanoic acid?
The InChIKey is JUUXIVQHVRXIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-5-7-14-12(13(16)17)6-8-15(4)9-10-18-11(2)3/h11-12,14H,5-10H2,1-4H3,(H,16,17).
What are the key properties of 4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)butanoic acid?
4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)butanoic acid has a molecular weight of 260.38 g/mol, XLogP of 1.19, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)butanoic acid is sourced from PubChem (CID 81074467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).