4-methylpentyl 4-amino-3-hydroxy-3-methylbutanoate

C11H23NO3 — CID 66003374

IUPAC4-methylpentyl 4-amino-3-hydroxy-3-methylbutanoate
SMILESCC(C)CCCOC(=O)CC(C)(O)CN
InChIInChI=1S/C11H23NO3/c1-9(2)5-4-6-15-10(13)7-11(3,14)8-12/h9,14H,4-8,12H2,1-3H3
InChIKeyNTFIZCIZQCXQSF-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.07
Rot. Bonds7

About 4-methylpentyl 4-amino-3-hydroxy-3-methylbutanoate

4-methylpentyl 4-amino-3-hydroxy-3-methylbutanoate (PubChem CID 66003374) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-methylpentyl 4-amino-3-hydroxy-3-methylbutanoate.

Molecular Properties

Compound Name4-methylpentyl 4-amino-3-hydroxy-3-methylbutanoate
PubChem CID66003374
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name4-methylpentyl 4-amino-3-hydroxy-3-methylbutanoate
SMILESCC(C)CCCOC(=O)CC(C)(O)CN
InChIInChI=1S/C11H23NO3/c1-9(2)5-4-6-15-10(13)7-11(3,14)8-12/h9,14H,4-8,12H2,1-3H3
InChIKeyNTFIZCIZQCXQSF-UHFFFAOYSA-N
XLogP1.07
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

propyl 4-amino-3-hydroxy-3-methylbutanoate
CID 66001793
ethyl 3-hydroxy-3,7-dimethyloctanoate
CID 3020061
2-ethoxyethyl 4-amino-3-hydroxy-3-methylbutanoate
CID 66002390
2-hydroxy-4-(8-methylnonoxy)-2-[2-(8-methylnonoxy)-2-oxoethyl]-4-oxobutanoic acid
CID 14228650
bis(16-methylheptadecyl) 2,2-dihydroxybutanedioate
CID 87276617
bis(4-methylpentyl) heptadecanedioate
CID 87117081
5-O-(2,2-dimethylpropyl) 1-O-(4-methylpentyl) pentanedioate
CID 91706791
tris(4-methylpentyl) 2-acetyloxypropane-1,2,3-tricarboxylate
CID 6432750
bis(4-methylpentyl) oxalate
CID 6420411
4-methylpentyl 16-methylheptadecanoate
CID 118937191
ethyl 3-hydroxy-3,6-dimethylheptanoate
CID 62395041
2-hydroxy-2-[2-(7-methyloctoxy)-2-oxoethyl]butanedioic acid
CID 91461249

Frequently Asked Questions

What is the IUPAC name of 4-methylpentyl 4-amino-3-hydroxy-3-methylbutanoate?
The IUPAC name of 4-methylpentyl 4-amino-3-hydroxy-3-methylbutanoate (CID 66003374) is 4-methylpentyl 4-amino-3-hydroxy-3-methylbutanoate.
What is the SMILES notation for 4-methylpentyl 4-amino-3-hydroxy-3-methylbutanoate?
The canonical SMILES for 4-methylpentyl 4-amino-3-hydroxy-3-methylbutanoate is CC(C)CCCOC(=O)CC(C)(O)CN.
What is the InChIKey of 4-methylpentyl 4-amino-3-hydroxy-3-methylbutanoate?
The InChIKey is NTFIZCIZQCXQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-9(2)5-4-6-15-10(13)7-11(3,14)8-12/h9,14H,4-8,12H2,1-3H3.
What are the key properties of 4-methylpentyl 4-amino-3-hydroxy-3-methylbutanoate?
4-methylpentyl 4-amino-3-hydroxy-3-methylbutanoate has a molecular weight of 217.31 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentyl 4-amino-3-hydroxy-3-methylbutanoate is sourced from PubChem (CID 66003374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).