pentyl acetate;pentyl 2-aminoacetate

C14H29NO4 — CID 178018293

IUPACpentyl acetate;pentyl 2-aminoacetate
SMILESCCCCCOC(=O)CN.CCCCCOC(C)=O
InChIInChI=1S/C7H15NO2.C7H14O2/c1-2-3-4-5-10-7(9)6-8;1-3-4-5-6-9-7(2)8/h2-6,8H2,1H3;3-6H2,1-2H3
InChIKeyMEMWTLOSFWLXJV-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.42
Rot. Bonds9

About pentyl acetate;pentyl 2-aminoacetate

pentyl acetate;pentyl 2-aminoacetate (PubChem CID 178018293) has the molecular formula C14H29NO4 and a molecular weight of 275.39 g/mol. Its IUPAC name is pentyl acetate;pentyl 2-aminoacetate.

Molecular Properties

Compound Namepentyl acetate;pentyl 2-aminoacetate
PubChem CID178018293
Molecular FormulaC14H29NO4
Molecular Weight275.39 g/mol
Exact Mass275.21
IUPAC Namepentyl acetate;pentyl 2-aminoacetate
SMILESCCCCCOC(=O)CN.CCCCCOC(C)=O
InChIInChI=1S/C7H15NO2.C7H14O2/c1-2-3-4-5-10-7(9)6-8;1-3-4-5-6-9-7(2)8/h2-6,8H2,1H3;3-6H2,1-2H3
InChIKeyMEMWTLOSFWLXJV-UHFFFAOYSA-N
XLogP2.42
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

alumane;hexyl acetate
CID 174832794
magnesium;hydride;pentyl acetate
CID 174803356
azane;tetradecyl acetate
CID 87432458
CID 162323537
CID 162323537
ethanol;hexadecyl acetate
CID 87919670
magnesium;hydride;nonyl acetate
CID 174803218
calcium;hydride;octadecyl acetate
CID 174802798
ethene;nonyl acetate
CID 170451195
acetic acid;octyl acetate
CID 87556300
2-acetyloxyethyl acetate;hexane
CID 137406148
nonadec-10-enyl 2-aminoacetate
CID 90782859
sodium;dodecyl 2-aminoacetate;hydride;sulfuric acid
CID 175285202

Frequently Asked Questions

What is the IUPAC name of pentyl acetate;pentyl 2-aminoacetate?
The IUPAC name of pentyl acetate;pentyl 2-aminoacetate (CID 178018293) is pentyl acetate;pentyl 2-aminoacetate.
What is the SMILES notation for pentyl acetate;pentyl 2-aminoacetate?
The canonical SMILES for pentyl acetate;pentyl 2-aminoacetate is CCCCCOC(=O)CN.CCCCCOC(C)=O.
What is the InChIKey of pentyl acetate;pentyl 2-aminoacetate?
The InChIKey is MEMWTLOSFWLXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.C7H14O2/c1-2-3-4-5-10-7(9)6-8;1-3-4-5-6-9-7(2)8/h2-6,8H2,1H3;3-6H2,1-2H3.
What are the key properties of pentyl acetate;pentyl 2-aminoacetate?
pentyl acetate;pentyl 2-aminoacetate has a molecular weight of 275.39 g/mol, XLogP of 2.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl acetate;pentyl 2-aminoacetate is sourced from PubChem (CID 178018293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).