5-methoxy-2-(pentan-2-ylamino)pentanoic acid

C11H23NO3 — CID 107886535

IUPAC5-methoxy-2-(pentan-2-ylamino)pentanoic acid
SMILESCCCC(C)NC(CCCOC)C(=O)O
InChIInChI=1S/C11H23NO3/c1-4-6-9(2)12-10(11(13)14)7-5-8-15-3/h9-10,12H,4-8H2,1-3H3,(H,13,14)
InChIKeyGQGOHQALQIVOJN-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.64
Rot. Bonds9

About 5-methoxy-2-(pentan-2-ylamino)pentanoic acid

5-methoxy-2-(pentan-2-ylamino)pentanoic acid (PubChem CID 107886535) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 5-methoxy-2-(pentan-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-(pentan-2-ylamino)pentanoic acid
PubChem CID107886535
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name5-methoxy-2-(pentan-2-ylamino)pentanoic acid
SMILESCCCC(C)NC(CCCOC)C(=O)O
InChIInChI=1S/C11H23NO3/c1-4-6-9(2)12-10(11(13)14)7-5-8-15-3/h9-10,12H,4-8H2,1-3H3,(H,13,14)
InChIKeyGQGOHQALQIVOJN-UHFFFAOYSA-N
XLogP1.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxybutan-2-ylamino)pentanoic acid
CID 65055472
2-(pentan-2-ylamino)hexanoic acid
CID 103231809
3-methoxy-2-(4-methoxybutan-2-ylamino)propanoic acid
CID 103254849
5-methoxy-2-(octan-2-ylcarbamoylamino)pentanoic acid
CID 81085553
5-methoxy-2-(propanoylamino)pentanoic acid
CID 81076989
2-(4-hydroxybutan-2-ylamino)hexanoic acid
CID 103262235
2-(decanoylamino)-5-methoxypentanoic acid
CID 81085342
2-(1-ethoxypropan-2-ylcarbamoylamino)-5-methoxypentanoic acid
CID 81086320
5-methoxy-2-(2-methylpropanoylamino)pentanoic acid
CID 81077391
2-(4-aminopentanoylamino)-5-methoxypentanoic acid
CID 81077924
2-(1-propan-2-yloxypropan-2-ylamino)hexanoic acid
CID 122039513
5-methoxy-2-(3-methylpentanoylamino)pentanoic acid
CID 114873817

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(pentan-2-ylamino)pentanoic acid?
The IUPAC name of 5-methoxy-2-(pentan-2-ylamino)pentanoic acid (CID 107886535) is 5-methoxy-2-(pentan-2-ylamino)pentanoic acid.
What is the SMILES notation for 5-methoxy-2-(pentan-2-ylamino)pentanoic acid?
The canonical SMILES for 5-methoxy-2-(pentan-2-ylamino)pentanoic acid is CCCC(C)NC(CCCOC)C(=O)O.
What is the InChIKey of 5-methoxy-2-(pentan-2-ylamino)pentanoic acid?
The InChIKey is GQGOHQALQIVOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-4-6-9(2)12-10(11(13)14)7-5-8-15-3/h9-10,12H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 5-methoxy-2-(pentan-2-ylamino)pentanoic acid?
5-methoxy-2-(pentan-2-ylamino)pentanoic acid has a molecular weight of 217.31 g/mol, XLogP of 1.64, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(pentan-2-ylamino)pentanoic acid is sourced from PubChem (CID 107886535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).