(2R)-2-amino-5-octoxy-5-oxopentanoic acid

C13H25NO4 — CID 98550174

IUPAC(2R)-2-amino-5-octoxy-5-oxopentanoic acid
SMILESCCCCCCCCOC(=O)CC[C@@H](N)C(=O)O
InChIInChI=1S/C13H25NO4/c1-2-3-4-5-6-7-10-18-12(15)9-8-11(14)13(16)17/h11H,2-10,14H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyUCDDOKSXLQWTOD-LLVKDONJSA-N
MW259.35 g/mol
LogP2.08
Rot. Bonds11

About (2R)-2-amino-5-octoxy-5-oxopentanoic acid

(2R)-2-amino-5-octoxy-5-oxopentanoic acid (PubChem CID 98550174) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is (2R)-2-amino-5-octoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-5-octoxy-5-oxopentanoic acid
PubChem CID98550174
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name(2R)-2-amino-5-octoxy-5-oxopentanoic acid
SMILESCCCCCCCCOC(=O)CC[C@@H](N)C(=O)O
InChIInChI=1S/C13H25NO4/c1-2-3-4-5-6-7-10-18-12(15)9-8-11(14)13(16)17/h11H,2-10,14H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyUCDDOKSXLQWTOD-LLVKDONJSA-N
XLogP2.08
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.08
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

dipotassium;(2S)-2-amino-5-octadecoxy-5-oxopentanoic acid;hydride
CID 175019891
sodium;(2S)-2-amino-5-hexadecoxy-5-oxopentanoic acid;hydride
CID 175297961
potassium;sodium;(2S)-2-amino-5-octadecoxy-5-oxopentanoic acid;hydride
CID 175396925
heptyl 4-amino-5-oxohexanoate
CID 145221030
dioctadecyl 2-aminopentanedioate
CID 10078023
ditetradecyl 2-aminopentanedioate
CID 14459260
dihexyl (2R)-2-aminopentanedioate
CID 87498981
(2S)-2,6-diaminohexanoic acid;didodecyl (2S)-2-aminopentanedioate
CID 172797569
dihexadecyl 2-aminopentanedioate;hydrochloride
CID 78067541
dipentyl (2S)-2-aminopentanedioate;hydrochloride
CID 139951057
potassium (2S)-2-amino-5-octadecoxy-5-oxopentanoate
CID 174758136
(2S)-2-amino-5-nonanoyloxy-5-oxopentanoic acid
CID 175416934

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-5-octoxy-5-oxopentanoic acid?
The IUPAC name of (2R)-2-amino-5-octoxy-5-oxopentanoic acid (CID 98550174) is (2R)-2-amino-5-octoxy-5-oxopentanoic acid.
What is the SMILES notation for (2R)-2-amino-5-octoxy-5-oxopentanoic acid?
The canonical SMILES for (2R)-2-amino-5-octoxy-5-oxopentanoic acid is CCCCCCCCOC(=O)CC[C@@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-5-octoxy-5-oxopentanoic acid?
The InChIKey is UCDDOKSXLQWTOD-LLVKDONJSA-N. The full InChI is InChI=1S/C13H25NO4/c1-2-3-4-5-6-7-10-18-12(15)9-8-11(14)13(16)17/h11H,2-10,14H2,1H3,(H,16,17)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-5-octoxy-5-oxopentanoic acid?
(2R)-2-amino-5-octoxy-5-oxopentanoic acid has a molecular weight of 259.35 g/mol, XLogP of 2.08, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-5-octoxy-5-oxopentanoic acid is sourced from PubChem (CID 98550174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).