5-methoxy-2-(2-methylpropanoylamino)pentanoic acid

C10H19NO4 — CID 81077391

IUPAC5-methoxy-2-(2-methylpropanoylamino)pentanoic acid
SMILESCOCCCC(NC(=O)C(C)C)C(=O)O
InChIInChI=1S/C10H19NO4/c1-7(2)9(12)11-8(10(13)14)5-4-6-15-3/h7-8H,4-6H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyWXALJDXMRJDBNC-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.64
Rot. Bonds7

About 5-methoxy-2-(2-methylpropanoylamino)pentanoic acid

5-methoxy-2-(2-methylpropanoylamino)pentanoic acid (PubChem CID 81077391) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 5-methoxy-2-(2-methylpropanoylamino)pentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-(2-methylpropanoylamino)pentanoic acid
PubChem CID81077391
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name5-methoxy-2-(2-methylpropanoylamino)pentanoic acid
SMILESCOCCCC(NC(=O)C(C)C)C(=O)O
InChIInChI=1S/C10H19NO4/c1-7(2)9(12)11-8(10(13)14)5-4-6-15-3/h7-8H,4-6H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyWXALJDXMRJDBNC-UHFFFAOYSA-N
XLogP0.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.64
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-[(2-amino-3-methoxypropanoyl)amino]-5-methoxypentanoic acid
CID 81101732
5-methoxy-2-(propanoylamino)pentanoic acid
CID 81076989
2-[(3-amino-2-methoxypropanoyl)amino]-5-methoxypentanoic acid
CID 114145147
2-(4-aminopentanoylamino)-5-methoxypentanoic acid
CID 81077924
5-methoxy-2-(3-methylpentanoylamino)pentanoic acid
CID 114873817
2-[(2-amino-4-methylsulfonylbutanoyl)amino]-5-methoxypentanoic acid
CID 81078633
5-methoxy-2-(3,4,4-trimethylpentanoylamino)pentanoic acid
CID 81076582
4-methoxy-2-(2-methylpentanoylamino)butanoic acid
CID 62478938
2-[(2,5-dimethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81076484
5-methoxy-2-(octan-2-ylcarbamoylamino)pentanoic acid
CID 81085553
N-(4-methoxybutan-2-yl)-2-methylpropanamide
CID 62613401
5-methoxy-2-[[2-(2-methoxyphenyl)acetyl]amino]pentanoic acid
CID 81085334

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(2-methylpropanoylamino)pentanoic acid?
The IUPAC name of 5-methoxy-2-(2-methylpropanoylamino)pentanoic acid (CID 81077391) is 5-methoxy-2-(2-methylpropanoylamino)pentanoic acid.
What is the SMILES notation for 5-methoxy-2-(2-methylpropanoylamino)pentanoic acid?
The canonical SMILES for 5-methoxy-2-(2-methylpropanoylamino)pentanoic acid is COCCCC(NC(=O)C(C)C)C(=O)O.
What is the InChIKey of 5-methoxy-2-(2-methylpropanoylamino)pentanoic acid?
The InChIKey is WXALJDXMRJDBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-7(2)9(12)11-8(10(13)14)5-4-6-15-3/h7-8H,4-6H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 5-methoxy-2-(2-methylpropanoylamino)pentanoic acid?
5-methoxy-2-(2-methylpropanoylamino)pentanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(2-methylpropanoylamino)pentanoic acid is sourced from PubChem (CID 81077391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).