2-(1-amino-2-methylbutan-2-yl)oxybutanoic acid

C9H19NO3 — CID 65053739

IUPAC2-(1-amino-2-methylbutan-2-yl)oxybutanoic acid
SMILESCCC(OC(C)(CC)CN)C(=O)O
InChIInChI=1S/C9H19NO3/c1-4-7(8(11)12)13-9(3,5-2)6-10/h7H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyPMWDSOGUCMDUQQ-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.99
Rot. Bonds6

About 2-(1-amino-2-methylbutan-2-yl)oxybutanoic acid

2-(1-amino-2-methylbutan-2-yl)oxybutanoic acid (PubChem CID 65053739) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 2-(1-amino-2-methylbutan-2-yl)oxybutanoic acid.

Molecular Properties

Compound Name2-(1-amino-2-methylbutan-2-yl)oxybutanoic acid
PubChem CID65053739
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name2-(1-amino-2-methylbutan-2-yl)oxybutanoic acid
SMILESCCC(OC(C)(CC)CN)C(=O)O
InChIInChI=1S/C9H19NO3/c1-4-7(8(11)12)13-9(3,5-2)6-10/h7H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyPMWDSOGUCMDUQQ-UHFFFAOYSA-N
XLogP0.99
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-methylbutan-2-yl)oxybutanoic acid?
The IUPAC name of 2-(1-amino-2-methylbutan-2-yl)oxybutanoic acid (CID 65053739) is 2-(1-amino-2-methylbutan-2-yl)oxybutanoic acid.
What is the SMILES notation for 2-(1-amino-2-methylbutan-2-yl)oxybutanoic acid?
The canonical SMILES for 2-(1-amino-2-methylbutan-2-yl)oxybutanoic acid is CCC(OC(C)(CC)CN)C(=O)O.
What is the InChIKey of 2-(1-amino-2-methylbutan-2-yl)oxybutanoic acid?
The InChIKey is PMWDSOGUCMDUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-4-7(8(11)12)13-9(3,5-2)6-10/h7H,4-6,10H2,1-3H3,(H,11,12).
What are the key properties of 2-(1-amino-2-methylbutan-2-yl)oxybutanoic acid?
2-(1-amino-2-methylbutan-2-yl)oxybutanoic acid has a molecular weight of 189.25 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-methylbutan-2-yl)oxybutanoic acid is sourced from PubChem (CID 65053739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).