methyl 4-amino-3-(1-methoxypropan-2-yl)-4-methylpentanoate

C11H23NO3 — CID 116503398

IUPACmethyl 4-amino-3-(1-methoxypropan-2-yl)-4-methylpentanoate
SMILESCOCC(C)C(CC(=O)OC)C(C)(C)N
InChIInChI=1S/C11H23NO3/c1-8(7-14-4)9(11(2,3)12)6-10(13)15-5/h8-9H,6-7,12H2,1-5H3
InChIKeyJPVIPMBRRNVULU-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.19
Rot. Bonds6

About methyl 4-amino-3-(1-methoxypropan-2-yl)-4-methylpentanoate

methyl 4-amino-3-(1-methoxypropan-2-yl)-4-methylpentanoate (PubChem CID 116503398) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is methyl 4-amino-3-(1-methoxypropan-2-yl)-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 4-amino-3-(1-methoxypropan-2-yl)-4-methylpentanoate
PubChem CID116503398
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Namemethyl 4-amino-3-(1-methoxypropan-2-yl)-4-methylpentanoate
SMILESCOCC(C)C(CC(=O)OC)C(C)(C)N
InChIInChI=1S/C11H23NO3/c1-8(7-14-4)9(11(2,3)12)6-10(13)15-5/h8-9H,6-7,12H2,1-5H3
InChIKeyJPVIPMBRRNVULU-UHFFFAOYSA-N
XLogP1.19
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-(1-methoxypropan-2-yl)-4-methylpentanoate?
The IUPAC name of methyl 4-amino-3-(1-methoxypropan-2-yl)-4-methylpentanoate (CID 116503398) is methyl 4-amino-3-(1-methoxypropan-2-yl)-4-methylpentanoate.
What is the SMILES notation for methyl 4-amino-3-(1-methoxypropan-2-yl)-4-methylpentanoate?
The canonical SMILES for methyl 4-amino-3-(1-methoxypropan-2-yl)-4-methylpentanoate is COCC(C)C(CC(=O)OC)C(C)(C)N.
What is the InChIKey of methyl 4-amino-3-(1-methoxypropan-2-yl)-4-methylpentanoate?
The InChIKey is JPVIPMBRRNVULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-8(7-14-4)9(11(2,3)12)6-10(13)15-5/h8-9H,6-7,12H2,1-5H3.
What are the key properties of methyl 4-amino-3-(1-methoxypropan-2-yl)-4-methylpentanoate?
methyl 4-amino-3-(1-methoxypropan-2-yl)-4-methylpentanoate has a molecular weight of 217.31 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-(1-methoxypropan-2-yl)-4-methylpentanoate is sourced from PubChem (CID 116503398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).