(2R)-2-amino-3-hydroxy-N-octylpropanamide

C11H24N2O2 — CID 82675053

IUPAC(2R)-2-amino-3-hydroxy-N-octylpropanamide
SMILESCCCCCCCCNC(=O)[C@H](N)CO
InChIInChI=1S/C11H24N2O2/c1-2-3-4-5-6-7-8-13-11(15)10(12)9-14/h10,14H,2-9,12H2,1H3,(H,13,15)/t10-/m1/s1
InChIKeyUERKQFPRZJAJTN-SNVBAGLBSA-N
MW216.32 g/mol
LogP0.78
Rot. Bonds9

About (2R)-2-amino-3-hydroxy-N-octylpropanamide

(2R)-2-amino-3-hydroxy-N-octylpropanamide (PubChem CID 82675053) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is (2R)-2-amino-3-hydroxy-N-octylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-hydroxy-N-octylpropanamide
PubChem CID82675053
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name(2R)-2-amino-3-hydroxy-N-octylpropanamide
SMILESCCCCCCCCNC(=O)[C@H](N)CO
InChIInChI=1S/C11H24N2O2/c1-2-3-4-5-6-7-8-13-11(15)10(12)9-14/h10,14H,2-9,12H2,1H3,(H,13,15)/t10-/m1/s1
InChIKeyUERKQFPRZJAJTN-SNVBAGLBSA-N
XLogP0.78
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.78
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)-2-amino-N-tetradecylbutanamide
CID 158842614
2-amino-N-hexylhexanamide
CID 60852762
2,3-diamino-N-octadecylpropanamide
CID 158457421
(2S)-2-amino-N-dodecylhexanamide;hydrochloride
CID 135364190
(3S)-3-amino-4-(dodecylamino)-4-oxobutanoic acid
CID 87318913
(3S)-3-amino-4-(octadecylamino)-4-oxobutanoic acid
CID 87319026
(3S)-3-amino-4-(nonylamino)-4-oxobutanoic acid
CID 87588686
2-amino-3-chloro-N-pentylpropanamide
CID 18966849
(2S)-2,6-diamino-N-hexadecylhexanamide
CID 10595298
(2R)-2,6-diamino-N-dodecylhexanamide
CID 10663029
2,3-dihydroxy-N-tetradecylpropanamide
CID 172845175
(2S)-2-amino-N-(5-hydroxypentyl)pentanamide
CID 107571012

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-hydroxy-N-octylpropanamide?
The IUPAC name of (2R)-2-amino-3-hydroxy-N-octylpropanamide (CID 82675053) is (2R)-2-amino-3-hydroxy-N-octylpropanamide.
What is the SMILES notation for (2R)-2-amino-3-hydroxy-N-octylpropanamide?
The canonical SMILES for (2R)-2-amino-3-hydroxy-N-octylpropanamide is CCCCCCCCNC(=O)[C@H](N)CO.
What is the InChIKey of (2R)-2-amino-3-hydroxy-N-octylpropanamide?
The InChIKey is UERKQFPRZJAJTN-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-2-3-4-5-6-7-8-13-11(15)10(12)9-14/h10,14H,2-9,12H2,1H3,(H,13,15)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-3-hydroxy-N-octylpropanamide?
(2R)-2-amino-3-hydroxy-N-octylpropanamide has a molecular weight of 216.32 g/mol, XLogP of 0.78, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-hydroxy-N-octylpropanamide is sourced from PubChem (CID 82675053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).