2-methylpentyl 2-amino-5-methoxypentanoate

C12H25NO3 — CID 103284131

IUPAC2-methylpentyl 2-amino-5-methoxypentanoate
SMILESCCCC(C)COC(=O)C(N)CCCOC
InChIInChI=1S/C12H25NO3/c1-4-6-10(2)9-16-12(14)11(13)7-5-8-15-3/h10-11H,4-9,13H2,1-3H3
InChIKeyMJQHWVACDWPKIL-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.72
Rot. Bonds9

About 2-methylpentyl 2-amino-5-methoxypentanoate

2-methylpentyl 2-amino-5-methoxypentanoate (PubChem CID 103284131) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-methylpentyl 2-amino-5-methoxypentanoate.

Molecular Properties

Compound Name2-methylpentyl 2-amino-5-methoxypentanoate
PubChem CID103284131
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name2-methylpentyl 2-amino-5-methoxypentanoate
SMILESCCCC(C)COC(=O)C(N)CCCOC
InChIInChI=1S/C12H25NO3/c1-4-6-10(2)9-16-12(14)11(13)7-5-8-15-3/h10-11H,4-9,13H2,1-3H3
InChIKeyMJQHWVACDWPKIL-UHFFFAOYSA-N
XLogP1.72
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylpentyl 2-amino-5-methoxypentanoate?
The IUPAC name of 2-methylpentyl 2-amino-5-methoxypentanoate (CID 103284131) is 2-methylpentyl 2-amino-5-methoxypentanoate.
What is the SMILES notation for 2-methylpentyl 2-amino-5-methoxypentanoate?
The canonical SMILES for 2-methylpentyl 2-amino-5-methoxypentanoate is CCCC(C)COC(=O)C(N)CCCOC.
What is the InChIKey of 2-methylpentyl 2-amino-5-methoxypentanoate?
The InChIKey is MJQHWVACDWPKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-4-6-10(2)9-16-12(14)11(13)7-5-8-15-3/h10-11H,4-9,13H2,1-3H3.
What are the key properties of 2-methylpentyl 2-amino-5-methoxypentanoate?
2-methylpentyl 2-amino-5-methoxypentanoate has a molecular weight of 231.34 g/mol, XLogP of 1.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentyl 2-amino-5-methoxypentanoate is sourced from PubChem (CID 103284131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).