4-[hydroxy(tetradecyl)amino]-4-oxobutanoic acid

C18H35NO4 — CID 174789202

IUPAC4-[hydroxy(tetradecyl)amino]-4-oxobutanoic acid
SMILESCCCCCCCCCCCCCCN(O)C(=O)CCC(=O)O
InChIInChI=1S/C18H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19(23)17(20)14-15-18(21)22/h23H,2-16H2,1H3,(H,21,22)
InChIKeyVYPWYLDLFFOOOQ-UHFFFAOYSA-N
MW329.48 g/mol
LogP4.77
Rot. Bonds16

About 4-[hydroxy(tetradecyl)amino]-4-oxobutanoic acid

4-[hydroxy(tetradecyl)amino]-4-oxobutanoic acid (PubChem CID 174789202) has the molecular formula C18H35NO4 and a molecular weight of 329.48 g/mol. Its IUPAC name is 4-[hydroxy(tetradecyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[hydroxy(tetradecyl)amino]-4-oxobutanoic acid
PubChem CID174789202
Molecular FormulaC18H35NO4
Molecular Weight329.48 g/mol
Exact Mass329.26
IUPAC Name4-[hydroxy(tetradecyl)amino]-4-oxobutanoic acid
SMILESCCCCCCCCCCCCCCN(O)C(=O)CCC(=O)O
InChIInChI=1S/C18H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19(23)17(20)14-15-18(21)22/h23H,2-16H2,1H3,(H,21,22)
InChIKeyVYPWYLDLFFOOOQ-UHFFFAOYSA-N
XLogP4.77
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
4-[8-(dimethylamino)octyl-hydroxyamino]-4-oxobutanoic acid
CID 46899763
4-[5-(dimethylamino)pentyl-hydroxyamino]-4-oxobutanoic acid
CID 53380013
bis(butanedioic acid);decane
CID 159628544
(2S)-2-amino-5-[decyl(hydroxy)amino]-5-oxopentanoic acid
CID 122661967
3-[di(pentadecyl)amino]propanoic acid
CID 101313726
6-[di(tridecyl)amino]hexanoic acid
CID 101314498
3-(dioctadecylamino)propanoic acid
CID 101313756
4-(didodecylamino)butanoic acid
CID 101313875
N-heptyl-N-hydroxyacetamide
CID 71399613
N,N-dimethylicosan-1-amine;hexanoic acid
CID 174595283
copper;bis(3-[methyl(octadecyl)amino]propanoic acid)
CID 88802515

Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy(tetradecyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[hydroxy(tetradecyl)amino]-4-oxobutanoic acid (CID 174789202) is 4-[hydroxy(tetradecyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[hydroxy(tetradecyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[hydroxy(tetradecyl)amino]-4-oxobutanoic acid is CCCCCCCCCCCCCCN(O)C(=O)CCC(=O)O.
What is the InChIKey of 4-[hydroxy(tetradecyl)amino]-4-oxobutanoic acid?
The InChIKey is VYPWYLDLFFOOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19(23)17(20)14-15-18(21)22/h23H,2-16H2,1H3,(H,21,22).
What are the key properties of 4-[hydroxy(tetradecyl)amino]-4-oxobutanoic acid?
4-[hydroxy(tetradecyl)amino]-4-oxobutanoic acid has a molecular weight of 329.48 g/mol, XLogP of 4.77, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy(tetradecyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 174789202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).