4-(2-butoxyethoxy)-2-(propan-2-ylamino)butanoic acid

C13H27NO4 — CID 63041335

IUPAC4-(2-butoxyethoxy)-2-(propan-2-ylamino)butanoic acid
SMILESCCCCOCCOCCC(NC(C)C)C(=O)O
InChIInChI=1S/C13H27NO4/c1-4-5-7-17-9-10-18-8-6-12(13(15)16)14-11(2)3/h11-12,14H,4-10H2,1-3H3,(H,15,16)
InChIKeyZGJFADWGAVHGFT-UHFFFAOYSA-N
MW261.36 g/mol
LogP1.66
Rot. Bonds12

About 4-(2-butoxyethoxy)-2-(propan-2-ylamino)butanoic acid

4-(2-butoxyethoxy)-2-(propan-2-ylamino)butanoic acid (PubChem CID 63041335) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is 4-(2-butoxyethoxy)-2-(propan-2-ylamino)butanoic acid.

Molecular Properties

Compound Name4-(2-butoxyethoxy)-2-(propan-2-ylamino)butanoic acid
PubChem CID63041335
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name4-(2-butoxyethoxy)-2-(propan-2-ylamino)butanoic acid
SMILESCCCCOCCOCCC(NC(C)C)C(=O)O
InChIInChI=1S/C13H27NO4/c1-4-5-7-17-9-10-18-8-6-12(13(15)16)14-11(2)3/h11-12,14H,4-10H2,1-3H3,(H,15,16)
InChIKeyZGJFADWGAVHGFT-UHFFFAOYSA-N
XLogP1.66
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 51.66
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

ethyl 4-butoxy-2-(propan-2-ylamino)butanoate
CID 55143775
2-(propan-2-ylamino)heptanoic acid
CID 43754297
2-(propan-2-ylamino)-4-(2-propoxyethoxy)butanamide
CID 55234469
4-(2-butoxyethoxy)-2-(cyclopropylamino)butanoic acid
CID 63040953
methyl 4-hexoxy-2-(propan-2-ylamino)butanoate
CID 55145691
2-(methylamino)-4-pentoxybutanoic acid
CID 63034607
2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoic acid
CID 104563512
2-amino-4-(2-butoxyethoxy)butanoic acid
CID 63040016
3-(2-butoxyethoxy)-2-methylpropanoic acid
CID 43537971
2-(ethylamino)-4-(2-propoxyethoxy)butanoic acid
CID 63685674
ethyl 2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoate
CID 104563527
4-[2-(3-methoxypropoxy)ethoxy]-2-(propan-2-ylamino)butanamide
CID 103180074

Frequently Asked Questions

What is the IUPAC name of 4-(2-butoxyethoxy)-2-(propan-2-ylamino)butanoic acid?
The IUPAC name of 4-(2-butoxyethoxy)-2-(propan-2-ylamino)butanoic acid (CID 63041335) is 4-(2-butoxyethoxy)-2-(propan-2-ylamino)butanoic acid.
What is the SMILES notation for 4-(2-butoxyethoxy)-2-(propan-2-ylamino)butanoic acid?
The canonical SMILES for 4-(2-butoxyethoxy)-2-(propan-2-ylamino)butanoic acid is CCCCOCCOCCC(NC(C)C)C(=O)O.
What is the InChIKey of 4-(2-butoxyethoxy)-2-(propan-2-ylamino)butanoic acid?
The InChIKey is ZGJFADWGAVHGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4/c1-4-5-7-17-9-10-18-8-6-12(13(15)16)14-11(2)3/h11-12,14H,4-10H2,1-3H3,(H,15,16).
What are the key properties of 4-(2-butoxyethoxy)-2-(propan-2-ylamino)butanoic acid?
4-(2-butoxyethoxy)-2-(propan-2-ylamino)butanoic acid has a molecular weight of 261.36 g/mol, XLogP of 1.66, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyethoxy)-2-(propan-2-ylamino)butanoic acid is sourced from PubChem (CID 63041335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).