(2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)hexanamide

C11H24N2O3 — CID 103951121

IUPAC(2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)hexanamide
SMILESCCCC[C@H](N)C(=O)NCCC(O)COC
InChIInChI=1S/C11H24N2O3/c1-3-4-5-10(12)11(15)13-7-6-9(14)8-16-2/h9-10,14H,3-8,12H2,1-2H3,(H,13,15)/t9?,10-/m0/s1
InChIKeyKQWNTPCGBCXWKF-AXDSSHIGSA-N
MW232.32 g/mol
LogP0.02
Rot. Bonds9

About (2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)hexanamide

(2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)hexanamide (PubChem CID 103951121) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)hexanamide
PubChem CID103951121
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name(2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)hexanamide
SMILESCCCC[C@H](N)C(=O)NCCC(O)COC
InChIInChI=1S/C11H24N2O3/c1-3-4-5-10(12)11(15)13-7-6-9(14)8-16-2/h9-10,14H,3-8,12H2,1-2H3,(H,13,15)/t9?,10-/m0/s1
InChIKeyKQWNTPCGBCXWKF-AXDSSHIGSA-N
XLogP0.02
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-4-methoxybutyl)pentanamide
CID 103877026
(2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)pentanamide
CID 107569812
2-amino-N-[4-(2-methoxyethoxy)butyl]hexanamide
CID 115753308
2-amino-5-methoxy-N-propylpentanamide
CID 81082005
(2S)-2-amino-N-butylhexanamide;hydrochloride
CID 86592163
N-(3-hydroxy-4-methoxybutyl)dodecanamide
CID 103876970
N-(3-hydroxy-4-methoxybutyl)octanamide
CID 103877091
2-amino-N-hexylhexanamide
CID 60852762
N-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide
CID 106246633
2-amino-5-methoxy-N-(3-methoxypropyl)pentanamide
CID 81081158
(2S)-2-amino-N-dodecylhexanamide;hydrochloride
CID 135364190
(2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
CID 103831039

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)hexanamide (CID 103951121) is (2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)hexanamide is CCCC[C@H](N)C(=O)NCCC(O)COC.
What is the InChIKey of (2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)hexanamide?
The InChIKey is KQWNTPCGBCXWKF-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-3-4-5-10(12)11(15)13-7-6-9(14)8-16-2/h9-10,14H,3-8,12H2,1-2H3,(H,13,15)/t9?,10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)hexanamide?
(2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)hexanamide has a molecular weight of 232.32 g/mol, XLogP of 0.02, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)hexanamide is sourced from PubChem (CID 103951121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).