pentyl 2-[methyl(pentanoyl)amino]acetate

C13H25NO3 — CID 91692131

IUPACpentyl 2-[methyl(pentanoyl)amino]acetate
SMILESCCCCCOC(=O)CN(C)C(=O)CCCC
InChIInChI=1S/C13H25NO3/c1-4-6-8-10-17-13(16)11-14(3)12(15)9-7-5-2/h4-11H2,1-3H3
InChIKeyBIWGOKZWDAKSRH-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.37
Rot. Bonds9

About pentyl 2-[methyl(pentanoyl)amino]acetate

pentyl 2-[methyl(pentanoyl)amino]acetate (PubChem CID 91692131) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is pentyl 2-[methyl(pentanoyl)amino]acetate.

Molecular Properties

Compound Namepentyl 2-[methyl(pentanoyl)amino]acetate
PubChem CID91692131
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Namepentyl 2-[methyl(pentanoyl)amino]acetate
SMILESCCCCCOC(=O)CN(C)C(=O)CCCC
InChIInChI=1S/C13H25NO3/c1-4-6-8-10-17-13(16)11-14(3)12(15)9-7-5-2/h4-11H2,1-3H3
InChIKeyBIWGOKZWDAKSRH-UHFFFAOYSA-N
XLogP2.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-(2-oxoazepan-1-yl)acetate
CID 5169132
2-Piperidinecarboxylic acid, 1-acetyl-, ethyl ester
CID 558738
Sarcosine, n-heptafluorobutyryl-, pentyl ester
CID 91737639
Ethyl 2-[pentanoyl(trifluoromethyl)amino]acetate
CID 176438393
ethyl (2S)-1-acetylpiperidine-2-carboxylate
CID 101236662
pentyl N-acetylprolinate
CID 9991325
1-(Ethoxycarbonylmethyl)-2-piperidone
CID 10750014
Sarcosine, N-valeryl-, butyl ester
CID 15925521
Sarcosine, N-valeryl-, ethyl ester
CID 54785483
Sarcosine, n-hexanoyl-, ethyl ester
CID 61597932
Sarcosine, n-hexanoyl-, isohexyl ester
CID 91692127
Sarcosine, N-valeryl-, isohexyl ester
CID 91692129

Frequently Asked Questions

What is the IUPAC name of pentyl 2-[methyl(pentanoyl)amino]acetate?
The IUPAC name of pentyl 2-[methyl(pentanoyl)amino]acetate (CID 91692131) is pentyl 2-[methyl(pentanoyl)amino]acetate.
What is the SMILES notation for pentyl 2-[methyl(pentanoyl)amino]acetate?
The canonical SMILES for pentyl 2-[methyl(pentanoyl)amino]acetate is CCCCCOC(=O)CN(C)C(=O)CCCC.
What is the InChIKey of pentyl 2-[methyl(pentanoyl)amino]acetate?
The InChIKey is BIWGOKZWDAKSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-4-6-8-10-17-13(16)11-14(3)12(15)9-7-5-2/h4-11H2,1-3H3.
What are the key properties of pentyl 2-[methyl(pentanoyl)amino]acetate?
pentyl 2-[methyl(pentanoyl)amino]acetate has a molecular weight of 243.35 g/mol, XLogP of 2.37, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 2-[methyl(pentanoyl)amino]acetate is sourced from PubChem (CID 91692131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).