5-methoxy-2-(propanoylamino)pentanoic acid

C9H17NO4 — CID 81076989

IUPAC5-methoxy-2-(propanoylamino)pentanoic acid
SMILESCCC(=O)NC(CCCOC)C(=O)O
InChIInChI=1S/C9H17NO4/c1-3-8(11)10-7(9(12)13)5-4-6-14-2/h7H,3-6H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyFGDINHZMLRBATD-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.39
Rot. Bonds7

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

5-methoxy-2-(propanoylamino)pentanoic acid (PubChem CID 81076989) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-methoxy-2-(propanoylamino)pentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-(propanoylamino)pentanoic acid
PubChem CID81076989
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name5-methoxy-2-(propanoylamino)pentanoic acid
SMILESCCC(=O)NC(CCCOC)C(=O)O
InChIInChI=1S/C9H17NO4/c1-3-8(11)10-7(9(12)13)5-4-6-14-2/h7H,3-6H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyFGDINHZMLRBATD-UHFFFAOYSA-N
XLogP0.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.39
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

5-methoxy-2-(3-methylpentanoylamino)pentanoic acid
CID 114873817
2-(decanoylamino)-5-methoxypentanoic acid
CID 81085342
2-(4-aminopentanoylamino)-5-methoxypentanoic acid
CID 81077924
5-methoxy-2-(2-methylpropanoylamino)pentanoic acid
CID 81077391
5-methoxy-2-(3,4,4-trimethylpentanoylamino)pentanoic acid
CID 81076582
2-[[2-(azetidin-3-yl)acetyl]amino]-5-methoxypentanoic acid
CID 81079004
2-(3-methoxypropanoylamino)pentanoic acid
CID 62589483
2-[(2-amino-3-methoxypropanoyl)amino]-5-methoxypentanoic acid
CID 81101732
2-[(3,5-dimethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81076564
5-methoxy-2-[(2-pyridin-4-ylacetyl)amino]pentanoic acid
CID 81076913
2-(heptanoylamino)-4-methoxybutanoic acid
CID 62479658
2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxypentanoic acid
CID 81078638

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(propanoylamino)pentanoic acid?
The IUPAC name of 5-methoxy-2-(propanoylamino)pentanoic acid (CID 81076989) is 5-methoxy-2-(propanoylamino)pentanoic acid.
What is the SMILES notation for 5-methoxy-2-(propanoylamino)pentanoic acid?
The canonical SMILES for 5-methoxy-2-(propanoylamino)pentanoic acid is CCC(=O)NC(CCCOC)C(=O)O.
What is the InChIKey of 5-methoxy-2-(propanoylamino)pentanoic acid?
The InChIKey is FGDINHZMLRBATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-3-8(11)10-7(9(12)13)5-4-6-14-2/h7H,3-6H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 5-methoxy-2-(propanoylamino)pentanoic acid?
5-methoxy-2-(propanoylamino)pentanoic acid has a molecular weight of 203.24 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(propanoylamino)pentanoic acid is sourced from PubChem (CID 81076989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).