2-amino-3-hydroxy-N-octylbutanamide

C12H26N2O2 — CID 90110768

IUPAC2-amino-3-hydroxy-N-octylbutanamide
SMILESCCCCCCCCNC(=O)C(N)C(C)O
InChIInChI=1S/C12H26N2O2/c1-3-4-5-6-7-8-9-14-12(16)11(13)10(2)15/h10-11,15H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyOWXMQLCZMDMTIP-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.17
Rot. Bonds9

About 2-amino-3-hydroxy-N-octylbutanamide

2-amino-3-hydroxy-N-octylbutanamide (PubChem CID 90110768) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-amino-3-hydroxy-N-octylbutanamide.

Molecular Properties

Compound Name2-amino-3-hydroxy-N-octylbutanamide
PubChem CID90110768
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-amino-3-hydroxy-N-octylbutanamide
SMILESCCCCCCCCNC(=O)C(N)C(C)O
InChIInChI=1S/C12H26N2O2/c1-3-4-5-6-7-8-9-14-12(16)11(13)10(2)15/h10-11,15H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyOWXMQLCZMDMTIP-UHFFFAOYSA-N
XLogP1.17
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.17
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

(2S)-2-amino-3-methyl-N-octadecylpentanamide
CID 58604652
(2S,3S)-3-amino-2-hydroxy-N-octylbutanamide
CID 141156692
(2S)-2-amino-3-methyl-N-pentylpentanamide
CID 22690936
(2S)-2-amino-N-butyl-3-methylbutan(15N)amide
CID 158456312
(2S)-2-amino-N-[8-[[(2S)-2-amino-3-methylbutanoyl]amino]octyl]-3-methylbutanamide
CID 101248769
(2R,3R)-N,N'-dihexyl-2,3-dihydroxybutanediamide
CID 11392932
(2S)-2-amino-6-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]hexanoic acid
CID 167312289
(2R)-2-amino-N-tetradecylbutanamide
CID 158842614
2-amino-N-hexylhexanamide
CID 60852762
2,3-diamino-N-octadecylpropanamide
CID 158457421
(2S)-3-amino-N-hexyl-2-methylpropanamide
CID 166872434
(2R)-2-amino-3-hydroxy-N-octylpropanamide
CID 82675053

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-N-octylbutanamide?
The IUPAC name of 2-amino-3-hydroxy-N-octylbutanamide (CID 90110768) is 2-amino-3-hydroxy-N-octylbutanamide.
What is the SMILES notation for 2-amino-3-hydroxy-N-octylbutanamide?
The canonical SMILES for 2-amino-3-hydroxy-N-octylbutanamide is CCCCCCCCNC(=O)C(N)C(C)O.
What is the InChIKey of 2-amino-3-hydroxy-N-octylbutanamide?
The InChIKey is OWXMQLCZMDMTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-3-4-5-6-7-8-9-14-12(16)11(13)10(2)15/h10-11,15H,3-9,13H2,1-2H3,(H,14,16).
What are the key properties of 2-amino-3-hydroxy-N-octylbutanamide?
2-amino-3-hydroxy-N-octylbutanamide has a molecular weight of 230.35 g/mol, XLogP of 1.17, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-N-octylbutanamide is sourced from PubChem (CID 90110768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).