5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]pentanoic acid

C13H23NO5 — CID 81076491

IUPAC5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]pentanoic acid
SMILESCOCCCC(NC(=O)CC1CCCCO1)C(=O)O
InChIInChI=1S/C13H23NO5/c1-18-7-4-6-11(13(16)17)14-12(15)9-10-5-2-3-8-19-10/h10-11H,2-9H2,1H3,(H,14,15)(H,16,17)
InChIKeyUPBOLJWQRZDGOC-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.94
Rot. Bonds8

About 5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]pentanoic acid

5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]pentanoic acid (PubChem CID 81076491) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]pentanoic acid
PubChem CID81076491
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]pentanoic acid
SMILESCOCCCC(NC(=O)CC1CCCCO1)C(=O)O
InChIInChI=1S/C13H23NO5/c1-18-7-4-6-11(13(16)17)14-12(15)9-10-5-2-3-8-19-10/h10-11H,2-9H2,1H3,(H,14,15)(H,16,17)
InChIKeyUPBOLJWQRZDGOC-UHFFFAOYSA-N
XLogP0.94
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]-5-oxopentanoic acid
CID 82787504
(2R)-2-[[2-(oxolan-2-yl)acetyl]amino]hexanedioic acid
CID 107831657
(2S)-2-[[2-(oxolan-2-yl)acetyl]amino]pentanedioic acid
CID 65157565
2-[[2-(azetidin-3-yl)acetyl]amino]-5-methoxypentanoic acid
CID 81079004
2-(3-cyclohexylpropanoylamino)-5-methoxypentanoic acid
CID 81076333
N-(2-methoxyethyl)-2-(oxan-2-yl)acetamide
CID 110407614
(2R)-5-methoxy-2-[3-(oxan-2-yl)propanoylamino]-5-oxopentanoic acid
CID 107820646
2-(cycloheptanecarbonylamino)-5-methoxypentanoic acid
CID 81077074
5-methoxy-2-(propanoylamino)pentanoic acid
CID 81076989
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-5-methoxypentanoic acid
CID 81084212
2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-5-methoxypentanoic acid
CID 81076824
4-methoxy-2-[2-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid
CID 62474156

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]pentanoic acid?
The IUPAC name of 5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]pentanoic acid (CID 81076491) is 5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for 5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]pentanoic acid is COCCCC(NC(=O)CC1CCCCO1)C(=O)O.
What is the InChIKey of 5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]pentanoic acid?
The InChIKey is UPBOLJWQRZDGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-18-7-4-6-11(13(16)17)14-12(15)9-10-5-2-3-8-19-10/h10-11H,2-9H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]pentanoic acid?
5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]pentanoic acid has a molecular weight of 273.33 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 81076491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).