heptyl (2R)-2-aminopentanoate

C12H25NO2 — CID 107565724

IUPACheptyl (2R)-2-aminopentanoate
SMILESCCCCCCCOC(=O)[C@H](N)CCC
InChIInChI=1S/C12H25NO2/c1-3-5-6-7-8-10-15-12(14)11(13)9-4-2/h11H,3-10,13H2,1-2H3/t11-/m1/s1
InChIKeyVFMXOVSGGQHRCY-LLVKDONJSA-N
MW215.34 g/mol
LogP2.63
Rot. Bonds9

About heptyl (2R)-2-aminopentanoate

heptyl (2R)-2-aminopentanoate (PubChem CID 107565724) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is heptyl (2R)-2-aminopentanoate.

Molecular Properties

Compound Nameheptyl (2R)-2-aminopentanoate
PubChem CID107565724
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nameheptyl (2R)-2-aminopentanoate
SMILESCCCCCCCOC(=O)[C@H](N)CCC
InChIInChI=1S/C12H25NO2/c1-3-5-6-7-8-10-15-12(14)11(13)9-4-2/h11H,3-10,13H2,1-2H3/t11-/m1/s1
InChIKeyVFMXOVSGGQHRCY-LLVKDONJSA-N
XLogP2.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

heptyl 2-aminopentanoate
CID 61302463
hexadecyl (2S)-2-aminohexanoate
CID 10808138
dodecyl 2-aminododecanoate
CID 175586127
dioctadecyl 2-aminopentanedioate
CID 10078023
ditetradecyl 2-aminopentanedioate
CID 14459260
dihexyl (2R)-2-aminopentanedioate
CID 87498981
hexyl 2-amino-4-methoxybutanoate
CID 62478651
decyl 2-aminobutanoate
CID 5124907
octadecyl (2R)-2,6-diaminohexanoate
CID 98551343
dihexadecyl 2-aminopentanedioate;hydrochloride
CID 78067541
nonadecyl (2S)-2,6-diaminohexanoate
CID 54272011
heptyl 2-amino-3-hydroxypropanoate
CID 14657672

Frequently Asked Questions

What is the IUPAC name of heptyl (2R)-2-aminopentanoate?
The IUPAC name of heptyl (2R)-2-aminopentanoate (CID 107565724) is heptyl (2R)-2-aminopentanoate.
What is the SMILES notation for heptyl (2R)-2-aminopentanoate?
The canonical SMILES for heptyl (2R)-2-aminopentanoate is CCCCCCCOC(=O)[C@H](N)CCC.
What is the InChIKey of heptyl (2R)-2-aminopentanoate?
The InChIKey is VFMXOVSGGQHRCY-LLVKDONJSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-5-6-7-8-10-15-12(14)11(13)9-4-2/h11H,3-10,13H2,1-2H3/t11-/m1/s1.
What are the key properties of heptyl (2R)-2-aminopentanoate?
heptyl (2R)-2-aminopentanoate has a molecular weight of 215.34 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for heptyl (2R)-2-aminopentanoate is sourced from PubChem (CID 107565724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).