4-(decylamino)-3-hydroxy-4-oxobutanoic acid

C14H27NO4 — CID 139704120

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

About 4-(decylamino)-3-hydroxy-4-oxobutanoic acid

4-(decylamino)-3-hydroxy-4-oxobutanoic acid (PubChem CID 139704120) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is 4-(decylamino)-3-hydroxy-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(decylamino)-3-hydroxy-4-oxobutanoic acid
PubChem CID139704120
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name4-(decylamino)-3-hydroxy-4-oxobutanoic acid
SMILESCCCCCCCCCCNC(=O)C(O)CC(=O)O
InChIInChI=1S/C14H27NO4/c1-2-3-4-5-6-7-8-9-10-15-14(19)12(16)11-13(17)18/h12,16H,2-11H2,1H3,(H,15,19)(H,17,18)
InChIKeyCUGWQSJAOHEMKR-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

(2R,3R)-2,3-Dihydroxy-4-oxo-4-(propylamino)butanoic acid
CID 449346
Butyric acid, 4-(2,4-dihydroxy-3,3-dimethylbutyramido)-3-hydroxy-
CID 16108
Tartaric acid mono-n-octylamide
CID 13734963
(2R,3R)-2,3-dihydroxy-4-(octylamino)-4-oxobutanoic acid
CID 13734965
N-tetradecyl-(2,4-dihydroxyl)-butanoic acid amide
CID 85756237
2,3-Dihydroxy-4-oxo-4-(propylamino)butanoic acid
CID 4388
4-(Dodecylamino)-3-hydroxy-4-oxobutanoic acid
CID 11255074
N-(4-aminobutyl)tartaric acid monoamide
CID 13577176
3-Hydroxy-4-(octylamino)-4-oxobutanoic acid
CID 13734974
4-(Hexanoylamino)-3-hydroxybutanoic acid
CID 22456796
4-(Decanoylamino)-3-hydroxybutanoic acid
CID 23163718
(2R,3S)-2,3-dihydroxy-4-oxo-4-(propylamino)butanoic acid
CID 46936657

Frequently Asked Questions

What is the IUPAC name of 4-(decylamino)-3-hydroxy-4-oxobutanoic acid?
The IUPAC name of 4-(decylamino)-3-hydroxy-4-oxobutanoic acid (CID 139704120) is 4-(decylamino)-3-hydroxy-4-oxobutanoic acid.
What is the SMILES notation for 4-(decylamino)-3-hydroxy-4-oxobutanoic acid?
The canonical SMILES for 4-(decylamino)-3-hydroxy-4-oxobutanoic acid is CCCCCCCCCCNC(=O)C(O)CC(=O)O.
What is the InChIKey of 4-(decylamino)-3-hydroxy-4-oxobutanoic acid?
The InChIKey is CUGWQSJAOHEMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-2-3-4-5-6-7-8-9-10-15-14(19)12(16)11-13(17)18/h12,16H,2-11H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 4-(decylamino)-3-hydroxy-4-oxobutanoic acid?
4-(decylamino)-3-hydroxy-4-oxobutanoic 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-(decylamino)-3-hydroxy-4-oxobutanoic acid is sourced from PubChem (CID 139704120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).