4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanoic acid

C15H32N2O3 — CID 63054663

IUPAC4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanoic acid
SMILESCCC(CC)N(CCOC)CCC(NC(C)C)C(=O)O
InChIInChI=1S/C15H32N2O3/c1-6-13(7-2)17(10-11-20-5)9-8-14(15(18)19)16-12(3)4/h12-14,16H,6-11H2,1-5H3,(H,18,19)
InChIKeyGPOHBOQOUSTTPH-UHFFFAOYSA-N
MW288.43 g/mol
LogP1.96
Rot. Bonds12

About 4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanoic acid

4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanoic acid (PubChem CID 63054663) has the molecular formula C15H32N2O3 and a molecular weight of 288.43 g/mol. Its IUPAC name is 4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanoic acid.

Molecular Properties

Compound Name4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanoic acid
PubChem CID63054663
Molecular FormulaC15H32N2O3
Molecular Weight288.43 g/mol
Exact Mass288.24
IUPAC Name4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanoic acid
SMILESCCC(CC)N(CCOC)CCC(NC(C)C)C(=O)O
InChIInChI=1S/C15H32N2O3/c1-6-13(7-2)17(10-11-20-5)9-8-14(15(18)19)16-12(3)4/h12-14,16H,6-11H2,1-5H3,(H,18,19)
InChIKeyGPOHBOQOUSTTPH-UHFFFAOYSA-N
XLogP1.96
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)butanoic acid
CID 63054650
4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanenitrile
CID 55144282
4-[2-ethoxyethyl(methyl)amino]-2-(propan-2-ylamino)butanoic acid
CID 81061462
4-[methyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid
CID 63028232
4-(3-methoxypropylsulfanyl)-2-(propan-2-ylamino)butanoic acid
CID 63857783
3-[3-methoxypropyl(methyl)amino]-2-(propan-2-ylamino)propanoic acid
CID 63009526
N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylbutane-1,4-diamine
CID 81079088
2-(4-methoxybutan-2-ylamino)pentanoic acid
CID 65055472
4-[methyl(2-methylpropyl)amino]-2-(propan-2-ylamino)butanoic acid
CID 63028225
methyl 2-(propan-2-ylamino)-4-[propan-2-yl(propyl)amino]butanoate
CID 63028441
ethyl 2-amino-4-[butan-2-yl(2-methoxyethyl)amino]butanoate
CID 63055186
ethyl 3-[2-methoxyethyl(pentan-3-yl)amino]propanoate
CID 55004372

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanoic acid?
The IUPAC name of 4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanoic acid (CID 63054663) is 4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanoic acid.
What is the SMILES notation for 4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanoic acid?
The canonical SMILES for 4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanoic acid is CCC(CC)N(CCOC)CCC(NC(C)C)C(=O)O.
What is the InChIKey of 4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanoic acid?
The InChIKey is GPOHBOQOUSTTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O3/c1-6-13(7-2)17(10-11-20-5)9-8-14(15(18)19)16-12(3)4/h12-14,16H,6-11H2,1-5H3,(H,18,19).
What are the key properties of 4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanoic acid?
4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanoic acid has a molecular weight of 288.43 g/mol, XLogP of 1.96, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanoic acid is sourced from PubChem (CID 63054663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).