1-methoxypropan-2-yl 4-amino-3-hydroxy-3-methylbutanoate

C9H19NO4 — CID 66001194

IUPAC1-methoxypropan-2-yl 4-amino-3-hydroxy-3-methylbutanoate
SMILESCOCC(C)OC(=O)CC(C)(O)CN
InChIInChI=1S/C9H19NO4/c1-7(5-13-3)14-8(11)4-9(2,12)6-10/h7,12H,4-6,10H2,1-3H3
InChIKeyROLWLJQTQAUUKH-UHFFFAOYSA-N
MW205.25 g/mol
LogP-0.34
Rot. Bonds6

About 1-methoxypropan-2-yl 4-amino-3-hydroxy-3-methylbutanoate

1-methoxypropan-2-yl 4-amino-3-hydroxy-3-methylbutanoate (PubChem CID 66001194) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is 1-methoxypropan-2-yl 4-amino-3-hydroxy-3-methylbutanoate.

Molecular Properties

Compound Name1-methoxypropan-2-yl 4-amino-3-hydroxy-3-methylbutanoate
PubChem CID66001194
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name1-methoxypropan-2-yl 4-amino-3-hydroxy-3-methylbutanoate
SMILESCOCC(C)OC(=O)CC(C)(O)CN
InChIInChI=1S/C9H19NO4/c1-7(5-13-3)14-8(11)4-9(2,12)6-10/h7,12H,4-6,10H2,1-3H3
InChIKeyROLWLJQTQAUUKH-UHFFFAOYSA-N
XLogP-0.34
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-yl 4-amino-3-hydroxy-3-methylbutanoate?
The IUPAC name of 1-methoxypropan-2-yl 4-amino-3-hydroxy-3-methylbutanoate (CID 66001194) is 1-methoxypropan-2-yl 4-amino-3-hydroxy-3-methylbutanoate.
What is the SMILES notation for 1-methoxypropan-2-yl 4-amino-3-hydroxy-3-methylbutanoate?
The canonical SMILES for 1-methoxypropan-2-yl 4-amino-3-hydroxy-3-methylbutanoate is COCC(C)OC(=O)CC(C)(O)CN.
What is the InChIKey of 1-methoxypropan-2-yl 4-amino-3-hydroxy-3-methylbutanoate?
The InChIKey is ROLWLJQTQAUUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-7(5-13-3)14-8(11)4-9(2,12)6-10/h7,12H,4-6,10H2,1-3H3.
What are the key properties of 1-methoxypropan-2-yl 4-amino-3-hydroxy-3-methylbutanoate?
1-methoxypropan-2-yl 4-amino-3-hydroxy-3-methylbutanoate has a molecular weight of 205.25 g/mol, XLogP of -0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-yl 4-amino-3-hydroxy-3-methylbutanoate is sourced from PubChem (CID 66001194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).