4-(decanoylamino)-3-hydroxybutanoic acid

C14H27NO4 — CID 23163718

IUPAC4-(decanoylamino)-3-hydroxybutanoic acid
SMILESCCCCCCCCCC(=O)NCC(O)CC(=O)O
InChIInChI=1S/C14H27NO4/c1-2-3-4-5-6-7-8-9-13(17)15-11-12(16)10-14(18)19/h12,16H,2-11H2,1H3,(H,15,17)(H,18,19)
InChIKeyXBSILEYTPHQBCN-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.08
Rot. Bonds12

About 4-(decanoylamino)-3-hydroxybutanoic acid

4-(decanoylamino)-3-hydroxybutanoic acid (PubChem CID 23163718) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is 4-(decanoylamino)-3-hydroxybutanoic acid.

Molecular Properties

Compound Name4-(decanoylamino)-3-hydroxybutanoic acid
PubChem CID23163718
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name4-(decanoylamino)-3-hydroxybutanoic acid
SMILESCCCCCCCCCC(=O)NCC(O)CC(=O)O
InChIInChI=1S/C14H27NO4/c1-2-3-4-5-6-7-8-9-13(17)15-11-12(16)10-14(18)19/h12,16H,2-11H2,1H3,(H,15,17)(H,18,19)
InChIKeyXBSILEYTPHQBCN-UHFFFAOYSA-N
XLogP2.08
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

12-hydroxy-N-(2-hydroxyhexyl)octadecanamide
CID 22735081
N-(2-hydroxypropyl)nonadecanamide
CID 102118860
5-methyl-3-[(octanoylamino)methyl]hexanoic acid
CID 65492458
3-hydroxy-4-(octadecylamino)butanoic acid
CID 87708231
N-[3-(hexadecanoylamino)-2-methylpropyl]hexadecanamide
CID 130353709
(Z)-N-(2,3-dihydroxypropyl)docos-13-enamide
CID 53321377
6-(hexylamino)-6-oxohexanoic acid
CID 22448385
11-(dodecanoylamino)undecanoic acid
CID 4163254
N-(2-hydroxypentyl)pentanamide
CID 115700612
acetamide;acetylene;N-(2-hydroxypentyl)octanamide
CID 162387958
(2R)-3-(dodecanoylamino)-N,N-diethyl-2-hydroxypropan-1-amine oxide
CID 98397407
[10-[[3-(decanoylamino)-2-hydroxypropyl]amino]-10-oxodecyl] hexadecanoate
CID 147853760

Frequently Asked Questions

What is the IUPAC name of 4-(decanoylamino)-3-hydroxybutanoic acid?
The IUPAC name of 4-(decanoylamino)-3-hydroxybutanoic acid (CID 23163718) is 4-(decanoylamino)-3-hydroxybutanoic acid.
What is the SMILES notation for 4-(decanoylamino)-3-hydroxybutanoic acid?
The canonical SMILES for 4-(decanoylamino)-3-hydroxybutanoic acid is CCCCCCCCCC(=O)NCC(O)CC(=O)O.
What is the InChIKey of 4-(decanoylamino)-3-hydroxybutanoic acid?
The InChIKey is XBSILEYTPHQBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-2-3-4-5-6-7-8-9-13(17)15-11-12(16)10-14(18)19/h12,16H,2-11H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 4-(decanoylamino)-3-hydroxybutanoic acid?
4-(decanoylamino)-3-hydroxybutanoic acid has a molecular weight of 273.37 g/mol, XLogP of 2.08, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(decanoylamino)-3-hydroxybutanoic acid is sourced from PubChem (CID 23163718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).