4-(dihydroxycarbamoyl)nonanoic acid

C10H19NO5 — CID 175189999

IUPAC4-(dihydroxycarbamoyl)nonanoic acid
SMILESCCCCCC(CCC(=O)O)C(=O)N(O)O
InChIInChI=1S/C10H19NO5/c1-2-3-4-5-8(6-7-9(12)13)10(14)11(15)16/h8,15-16H,2-7H2,1H3,(H,12,13)
InChIKeyXPKHHUOGWODBHJ-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.65
Rot. Bonds8

About 4-(dihydroxycarbamoyl)nonanoic acid

4-(dihydroxycarbamoyl)nonanoic acid (PubChem CID 175189999) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is 4-(dihydroxycarbamoyl)nonanoic acid.

Molecular Properties

Compound Name4-(dihydroxycarbamoyl)nonanoic acid
PubChem CID175189999
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name4-(dihydroxycarbamoyl)nonanoic acid
SMILESCCCCCC(CCC(=O)O)C(=O)N(O)O
InChIInChI=1S/C10H19NO5/c1-2-3-4-5-8(6-7-9(12)13)10(14)11(15)16/h8,15-16H,2-7H2,1H3,(H,12,13)
InChIKeyXPKHHUOGWODBHJ-UHFFFAOYSA-N
XLogP1.65
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

Analyze 4-(dihydroxycarbamoyl)nonanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-heptylpentanedioic acid
CID 18353896
3-(dihydroxycarbamoyl)hexadecylphosphonic acid
CID 175366077
icosane-1,3,7-tricarboxylic acid
CID 141268495
2-ethyl-N,N-dihydroxypentadecanamide;phosphoric acid
CID 175200186
N,N-diethyl-2-octyldodecanamide
CID 54517458
2-decylhexanedioic acid;2-octylhexanedioic acid
CID 87982352
2-octyltridecanedioic acid
CID 4026101
2-octylheptanedioic acid
CID 14718571
2-octyltetradecanedioic acid
CID 21327661
hexanedioic acid;2-octyldodecanoic acid
CID 175292744
hentriacontane-1,19,26-tricarboxylic acid
CID 174861570
dodecanoic acid;2-hexyldodecanoic acid
CID 161039741

Frequently Asked Questions

What is the IUPAC name of 4-(dihydroxycarbamoyl)nonanoic acid?
The IUPAC name of 4-(dihydroxycarbamoyl)nonanoic acid (CID 175189999) is 4-(dihydroxycarbamoyl)nonanoic acid.
What is the SMILES notation for 4-(dihydroxycarbamoyl)nonanoic acid?
The canonical SMILES for 4-(dihydroxycarbamoyl)nonanoic acid is CCCCCC(CCC(=O)O)C(=O)N(O)O.
What is the InChIKey of 4-(dihydroxycarbamoyl)nonanoic acid?
The InChIKey is XPKHHUOGWODBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5/c1-2-3-4-5-8(6-7-9(12)13)10(14)11(15)16/h8,15-16H,2-7H2,1H3,(H,12,13).
What are the key properties of 4-(dihydroxycarbamoyl)nonanoic acid?
4-(dihydroxycarbamoyl)nonanoic acid has a molecular weight of 233.26 g/mol, XLogP of 1.65, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dihydroxycarbamoyl)nonanoic acid is sourced from PubChem (CID 175189999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).