5-(2-methoxypropanoylamino)pentanoic acid

C9H17NO4 — CID 115731347

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

About 5-(2-methoxypropanoylamino)pentanoic acid

5-(2-methoxypropanoylamino)pentanoic acid (PubChem CID 115731347) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-(2-methoxypropanoylamino)pentanoic acid.

Molecular Properties

Compound Name5-(2-methoxypropanoylamino)pentanoic acid
PubChem CID115731347
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name5-(2-methoxypropanoylamino)pentanoic acid
SMILESCOC(C)C(=O)NCCCCC(=O)O
InChIInChI=1S/C9H17NO4/c1-7(14-2)9(13)10-6-4-3-5-8(11)12/h7H,3-6H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyXOFVPNMWCSQEEM-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-[(2-amino-3-methoxypropanoyl)amino]pentanoic acid
CID 81088250
7-(2-methylbutanoylamino)heptanoic acid
CID 24690343
3-[2-(2-methoxypropanoylamino)ethylsulfanyl]propanoic acid
CID 115731565
6-(2,3-dimethylpentanoylamino)hexanoic acid
CID 120522549
6-(methoxycarbonylamino)hexanoic acid
CID 22382374
7-[[(2R)-2-methoxy-2-phenylacetyl]amino]heptanoic acid
CID 120687217
6-[(2-methoxy-2-phenylacetyl)amino]hexanoic acid
CID 62034774
7-[[(2S)-2-amino-3-methylpentanoyl]amino]heptanoic acid
CID 61172355
6-acetamidohexanoic acid;methane
CID 163527023
6-[2-(4-chlorophenoxy)propanoylamino]hexanoic acid
CID 43238400
N-(4-aminopentyl)-2-methoxypropanamide
CID 106122458
7-[(2-methyl-3-methylsulfanylpropanoyl)amino]heptanoic acid
CID 119227388

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxypropanoylamino)pentanoic acid?
The IUPAC name of 5-(2-methoxypropanoylamino)pentanoic acid (CID 115731347) is 5-(2-methoxypropanoylamino)pentanoic acid.
What is the SMILES notation for 5-(2-methoxypropanoylamino)pentanoic acid?
The canonical SMILES for 5-(2-methoxypropanoylamino)pentanoic acid is COC(C)C(=O)NCCCCC(=O)O.
What is the InChIKey of 5-(2-methoxypropanoylamino)pentanoic acid?
The InChIKey is XOFVPNMWCSQEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-7(14-2)9(13)10-6-4-3-5-8(11)12/h7H,3-6H2,1-2H3,(H,10,13)(H,11,12).
What are the key properties of 5-(2-methoxypropanoylamino)pentanoic acid?
5-(2-methoxypropanoylamino)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-(2-methoxypropanoylamino)pentanoic acid is sourced from PubChem (CID 115731347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).