oxolan-3-yl 4-amino-3-methylbutanoate

C9H17NO3 — CID 81072972

IUPACoxolan-3-yl 4-amino-3-methylbutanoate
SMILESCC(CN)CC(=O)OC1CCOC1
InChIInChI=1S/C9H17NO3/c1-7(5-10)4-9(11)13-8-2-3-12-6-8/h7-8H,2-6,10H2,1H3
InChIKeyZYTIDFOJQLECCU-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.30
Rot. Bonds4

About oxolan-3-yl 4-amino-3-methylbutanoate

oxolan-3-yl 4-amino-3-methylbutanoate (PubChem CID 81072972) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is oxolan-3-yl 4-amino-3-methylbutanoate.

Molecular Properties

Compound Nameoxolan-3-yl 4-amino-3-methylbutanoate
PubChem CID81072972
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nameoxolan-3-yl 4-amino-3-methylbutanoate
SMILESCC(CN)CC(=O)OC1CCOC1
InChIInChI=1S/C9H17NO3/c1-7(5-10)4-9(11)13-8-2-3-12-6-8/h7-8H,2-6,10H2,1H3
InChIKeyZYTIDFOJQLECCU-UHFFFAOYSA-N
XLogP0.30
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 4-amino-3-methylbutanoate?
The IUPAC name of oxolan-3-yl 4-amino-3-methylbutanoate (CID 81072972) is oxolan-3-yl 4-amino-3-methylbutanoate.
What is the SMILES notation for oxolan-3-yl 4-amino-3-methylbutanoate?
The canonical SMILES for oxolan-3-yl 4-amino-3-methylbutanoate is CC(CN)CC(=O)OC1CCOC1.
What is the InChIKey of oxolan-3-yl 4-amino-3-methylbutanoate?
The InChIKey is ZYTIDFOJQLECCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(5-10)4-9(11)13-8-2-3-12-6-8/h7-8H,2-6,10H2,1H3.
What are the key properties of oxolan-3-yl 4-amino-3-methylbutanoate?
oxolan-3-yl 4-amino-3-methylbutanoate has a molecular weight of 187.24 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 4-amino-3-methylbutanoate is sourced from PubChem (CID 81072972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).