2-(5-methoxypentylcarbamoylamino)pentanoic acid

C12H24N2O4 — CID 113363777

IUPAC2-(5-methoxypentylcarbamoylamino)pentanoic acid
SMILESCCCC(NC(=O)NCCCCCOC)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-3-7-10(11(15)16)14-12(17)13-8-5-4-6-9-18-2/h10H,3-9H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyAURSZSKSBOMGJB-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.36
Rot. Bonds10

About 2-(5-methoxypentylcarbamoylamino)pentanoic acid

2-(5-methoxypentylcarbamoylamino)pentanoic acid (PubChem CID 113363777) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-(5-methoxypentylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name2-(5-methoxypentylcarbamoylamino)pentanoic acid
PubChem CID113363777
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2-(5-methoxypentylcarbamoylamino)pentanoic acid
SMILESCCCC(NC(=O)NCCCCCOC)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-3-7-10(11(15)16)14-12(17)13-8-5-4-6-9-18-2/h10H,3-9H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyAURSZSKSBOMGJB-UHFFFAOYSA-N
XLogP1.36
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(3-methoxypropylcarbamoylamino)pentanoic acid
CID 107566134
(2S)-4-hydroxy-2-(4-methoxybutylcarbamoylamino)butanoic acid
CID 107827216
(2R)-5-methoxy-2-(4-methoxybutylcarbamoylamino)-5-oxopentanoic acid
CID 107827213
3-methoxy-2-(pentylcarbamoylamino)propanoic acid
CID 81086094
4-methoxy-2-(4-propan-2-yloxybutylcarbamoylamino)butanoic acid
CID 106004415
(2R)-2-[4-(dimethylamino)butylcarbamoylamino]pentanoic acid
CID 107566736
2-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoylamino]pentanoic acid
CID 112588497
2-[3-(dimethylamino)propylcarbamoylamino]-5-methoxypentanoic acid
CID 81085258
methyl 2-(octylcarbamoylamino)pentanoate
CID 88893462
(2S)-2-[(4-amino-4-oxobutyl)carbamoylamino]pentanoic acid
CID 107566288
(2R)-5-methoxy-5-oxo-2-(pentylcarbamoylamino)pentanoic acid
CID 107825606
(2S)-2-(butylcarbamoylamino)hexanoic acid
CID 107144861

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxypentylcarbamoylamino)pentanoic acid?
The IUPAC name of 2-(5-methoxypentylcarbamoylamino)pentanoic acid (CID 113363777) is 2-(5-methoxypentylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 2-(5-methoxypentylcarbamoylamino)pentanoic acid?
The canonical SMILES for 2-(5-methoxypentylcarbamoylamino)pentanoic acid is CCCC(NC(=O)NCCCCCOC)C(=O)O.
What is the InChIKey of 2-(5-methoxypentylcarbamoylamino)pentanoic acid?
The InChIKey is AURSZSKSBOMGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-3-7-10(11(15)16)14-12(17)13-8-5-4-6-9-18-2/h10H,3-9H2,1-2H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-(5-methoxypentylcarbamoylamino)pentanoic acid?
2-(5-methoxypentylcarbamoylamino)pentanoic acid has a molecular weight of 260.33 g/mol, XLogP of 1.36, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxypentylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 113363777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).