2-methylpropyl 4-aminobutanoate

C8H17NO2 — CID 10329552

IUPAC2-methylpropyl 4-aminobutanoate
SMILESCC(C)COC(=O)CCCN
InChIInChI=1S/C8H17NO2/c1-7(2)6-11-8(10)4-3-5-9/h7H,3-6,9H2,1-2H3
InChIKeyASBRBBRFZYEPFG-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.92
Rot. Bonds5

About 2-methylpropyl 4-aminobutanoate

2-methylpropyl 4-aminobutanoate (PubChem CID 10329552) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-methylpropyl 4-aminobutanoate.

Molecular Properties

Compound Name2-methylpropyl 4-aminobutanoate
PubChem CID10329552
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-methylpropyl 4-aminobutanoate
SMILESCC(C)COC(=O)CCCN
InChIInChI=1S/C8H17NO2/c1-7(2)6-11-8(10)4-3-5-9/h7H,3-6,9H2,1-2H3
InChIKeyASBRBBRFZYEPFG-UHFFFAOYSA-N
XLogP0.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-aminobutanoate?
The IUPAC name of 2-methylpropyl 4-aminobutanoate (CID 10329552) is 2-methylpropyl 4-aminobutanoate.
What is the SMILES notation for 2-methylpropyl 4-aminobutanoate?
The canonical SMILES for 2-methylpropyl 4-aminobutanoate is CC(C)COC(=O)CCCN.
What is the InChIKey of 2-methylpropyl 4-aminobutanoate?
The InChIKey is ASBRBBRFZYEPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-7(2)6-11-8(10)4-3-5-9/h7H,3-6,9H2,1-2H3.
What are the key properties of 2-methylpropyl 4-aminobutanoate?
2-methylpropyl 4-aminobutanoate has a molecular weight of 159.23 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-aminobutanoate is sourced from PubChem (CID 10329552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).