2-[5-[acetyl(hydroxy)amino]-2-oxopentyl]-7-[dodecanoyl(hydroxy)amino]-2-hydroxy-4-oxoheptanoic acid

C26H46N2O9 — CID 122377042

IUPAC2-[5-[acetyl(hydroxy)amino]-2-oxopentyl]-7-[dodecanoyl(hydroxy)amino]-2-hydroxy-4-oxoheptanoic acid
SMILESCCCCCCCCCCCC(=O)N(O)CCCC(=O)CC(O)(CC(=O)CCCN(O)C(C)=O)C(=O)O
InChIInChI=1S/C26H46N2O9/c1-3-4-5-6-7-8-9-10-11-16-24(32)28(37)18-13-15-23(31)20-26(35,25(33)34)19-22(30)14-12-17-27(36)21(2)29/h35-37H,3-20H2,1-2H3,(H,33,34)
InChIKeySGYPLNVXUXSGOJ-UHFFFAOYSA-N
MW530.66 g/mol
LogP3.66
Rot. Bonds23

About 2-[5-[acetyl(hydroxy)amino]-2-oxopentyl]-7-[dodecanoyl(hydroxy)amino]-2-hydroxy-4-oxoheptanoic acid

2-[5-[acetyl(hydroxy)amino]-2-oxopentyl]-7-[dodecanoyl(hydroxy)amino]-2-hydroxy-4-oxoheptanoic acid (PubChem CID 122377042) has the molecular formula C26H46N2O9 and a molecular weight of 530.66 g/mol. Its IUPAC name is 2-[5-[acetyl(hydroxy)amino]-2-oxopentyl]-7-[dodecanoyl(hydroxy)amino]-2-hydroxy-4-oxoheptanoic acid.

Molecular Properties

Compound Name2-[5-[acetyl(hydroxy)amino]-2-oxopentyl]-7-[dodecanoyl(hydroxy)amino]-2-hydroxy-4-oxoheptanoic acid
PubChem CID122377042
Molecular FormulaC26H46N2O9
Molecular Weight530.66 g/mol
Exact Mass530.32
IUPAC Name2-[5-[acetyl(hydroxy)amino]-2-oxopentyl]-7-[dodecanoyl(hydroxy)amino]-2-hydroxy-4-oxoheptanoic acid
SMILESCCCCCCCCCCCC(=O)N(O)CCCC(=O)CC(O)(CC(=O)CCCN(O)C(C)=O)C(=O)O
InChIInChI=1S/C26H46N2O9/c1-3-4-5-6-7-8-9-10-11-16-24(32)28(37)18-13-15-23(31)20-26(35,25(33)34)19-22(30)14-12-17-27(36)21(2)29/h35-37H,3-20H2,1-2H3,(H,33,34)
InChIKeySGYPLNVXUXSGOJ-UHFFFAOYSA-N
XLogP3.66
TPSA172.75 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.66
LogP ≤ 53.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hexadecyl-N-hydroxyoctadecanamide
CID 150697655
N-heptyl-N-hydroxyacetamide
CID 71399613
2-hydroxypropane-1,2,3-tricarboxylic acid;N'-methyl-N-propyldocosanehydrazide
CID 87845241
2-hydroxypropane-1,2,3-tricarboxylic acid;octanoic acid
CID 161458349
4-[hydroxy(tetradecyl)amino]-4-oxobutanoic acid
CID 174789202
2,2-dihydroxyhexacosan-4-one
CID 141351870
N,N-dimethylhexadecan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 88686314
N-bromo-N-hydroxyheptatriacontanamide
CID 87686971
N-bromo-N-hydroxytetradecanamide
CID 87684693
N-bromo-N-hydroxynonacosanamide
CID 87682957
N-acetyl-N-methyltetradecanamide
CID 54508567
1,1,1-trifluorotridecan-3-one
CID 14914275

Frequently Asked Questions

What is the IUPAC name of 2-[5-[acetyl(hydroxy)amino]-2-oxopentyl]-7-[dodecanoyl(hydroxy)amino]-2-hydroxy-4-oxoheptanoic acid?
The IUPAC name of 2-[5-[acetyl(hydroxy)amino]-2-oxopentyl]-7-[dodecanoyl(hydroxy)amino]-2-hydroxy-4-oxoheptanoic acid (CID 122377042) is 2-[5-[acetyl(hydroxy)amino]-2-oxopentyl]-7-[dodecanoyl(hydroxy)amino]-2-hydroxy-4-oxoheptanoic acid.
What is the SMILES notation for 2-[5-[acetyl(hydroxy)amino]-2-oxopentyl]-7-[dodecanoyl(hydroxy)amino]-2-hydroxy-4-oxoheptanoic acid?
The canonical SMILES for 2-[5-[acetyl(hydroxy)amino]-2-oxopentyl]-7-[dodecanoyl(hydroxy)amino]-2-hydroxy-4-oxoheptanoic acid is CCCCCCCCCCCC(=O)N(O)CCCC(=O)CC(O)(CC(=O)CCCN(O)C(C)=O)C(=O)O.
What is the InChIKey of 2-[5-[acetyl(hydroxy)amino]-2-oxopentyl]-7-[dodecanoyl(hydroxy)amino]-2-hydroxy-4-oxoheptanoic acid?
The InChIKey is SGYPLNVXUXSGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46N2O9/c1-3-4-5-6-7-8-9-10-11-16-24(32)28(37)18-13-15-23(31)20-26(35,25(33)34)19-22(30)14-12-17-27(36)21(2)29/h35-37H,3-20H2,1-2H3,(H,33,34).
What are the key properties of 2-[5-[acetyl(hydroxy)amino]-2-oxopentyl]-7-[dodecanoyl(hydroxy)amino]-2-hydroxy-4-oxoheptanoic acid?
2-[5-[acetyl(hydroxy)amino]-2-oxopentyl]-7-[dodecanoyl(hydroxy)amino]-2-hydroxy-4-oxoheptanoic acid has a molecular weight of 530.66 g/mol, XLogP of 3.66, 23 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[acetyl(hydroxy)amino]-2-oxopentyl]-7-[dodecanoyl(hydroxy)amino]-2-hydroxy-4-oxoheptanoic acid is sourced from PubChem (CID 122377042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).