2-amino-4-oxopentanoic acid;2-(hexylamino)-4-oxopentanoic acid

C16H30N2O6 — CID 175990326

IUPAC2-amino-4-oxopentanoic acid;2-(hexylamino)-4-oxopentanoic acid
SMILESCC(=O)CC(N)C(=O)O.CCCCCCNC(CC(C)=O)C(=O)O
InChIInChI=1S/C11H21NO3.C5H9NO3/c1-3-4-5-6-7-12-10(11(14)15)8-9(2)13;1-3(7)2-4(6)5(8)9/h10,12H,3-8H2,1-2H3,(H,14,15);4H,2,6H2,1H3,(H,8,9)
InChIKeyOUSOMLGECUMDLG-UHFFFAOYSA-N
MW346.42 g/mol
LogP0.97
Rot. Bonds12

About 2-amino-4-oxopentanoic acid;2-(hexylamino)-4-oxopentanoic acid

2-amino-4-oxopentanoic acid;2-(hexylamino)-4-oxopentanoic acid (PubChem CID 175990326) has the molecular formula C16H30N2O6 and a molecular weight of 346.42 g/mol. Its IUPAC name is 2-amino-4-oxopentanoic acid;2-(hexylamino)-4-oxopentanoic acid.

Molecular Properties

Compound Name2-amino-4-oxopentanoic acid;2-(hexylamino)-4-oxopentanoic acid
PubChem CID175990326
Molecular FormulaC16H30N2O6
Molecular Weight346.42 g/mol
Exact Mass346.21
IUPAC Name2-amino-4-oxopentanoic acid;2-(hexylamino)-4-oxopentanoic acid
SMILESCC(=O)CC(N)C(=O)O.CCCCCCNC(CC(C)=O)C(=O)O
InChIInChI=1S/C11H21NO3.C5H9NO3/c1-3-4-5-6-7-12-10(11(14)15)8-9(2)13;1-3(7)2-4(6)5(8)9/h10,12H,3-8H2,1-2H3,(H,14,15);4H,2,6H2,1H3,(H,8,9)
InChIKeyOUSOMLGECUMDLG-UHFFFAOYSA-N
XLogP0.97
TPSA146.79 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 50.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

hexyl 2-amino-4-oxopentanoate;2-(hexylamino)-4-oxopentanoic acid
CID 175794171
2-(decylamino)butanedioic acid
CID 11162902
(2S)-4-amino-4-oxo-2-(pentylamino)butanoic acid
CID 87646492
2-(dodecylamino)butanedioic acid;hydrochloride
CID 174594620
2-(hexylamino)-4-methoxy-4-oxobutanoic acid
CID 71332238
2-(dodecylamino)hexanoic acid
CID 139637216
2-(pentylamino)octanoic acid
CID 129188286
2-(2-aminoethylamino)-4-oxopentanoic acid
CID 59927928
(2S)-2-amino-4-(octylamino)-4-oxobutanoic acid
CID 167206588
(2S)-2-(nonylamino)-3-sulfanylpropanoic acid
CID 135373067
(2S)-2-(docosylamino)-4-methylpentanoic acid
CID 102091088
6-amino-2-(hexylamino)hexanoic acid
CID 87424914

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-oxopentanoic acid;2-(hexylamino)-4-oxopentanoic acid?
The IUPAC name of 2-amino-4-oxopentanoic acid;2-(hexylamino)-4-oxopentanoic acid (CID 175990326) is 2-amino-4-oxopentanoic acid;2-(hexylamino)-4-oxopentanoic acid.
What is the SMILES notation for 2-amino-4-oxopentanoic acid;2-(hexylamino)-4-oxopentanoic acid?
The canonical SMILES for 2-amino-4-oxopentanoic acid;2-(hexylamino)-4-oxopentanoic acid is CC(=O)CC(N)C(=O)O.CCCCCCNC(CC(C)=O)C(=O)O.
What is the InChIKey of 2-amino-4-oxopentanoic acid;2-(hexylamino)-4-oxopentanoic acid?
The InChIKey is OUSOMLGECUMDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3.C5H9NO3/c1-3-4-5-6-7-12-10(11(14)15)8-9(2)13;1-3(7)2-4(6)5(8)9/h10,12H,3-8H2,1-2H3,(H,14,15);4H,2,6H2,1H3,(H,8,9).
What are the key properties of 2-amino-4-oxopentanoic acid;2-(hexylamino)-4-oxopentanoic acid?
2-amino-4-oxopentanoic acid;2-(hexylamino)-4-oxopentanoic acid has a molecular weight of 346.42 g/mol, XLogP of 0.97, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-oxopentanoic acid;2-(hexylamino)-4-oxopentanoic acid is sourced from PubChem (CID 175990326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).