(2S)-2-amino-N-(5-hydroxy-4-methoxypentyl)-4-methylpentanamide

C12H26N2O3 — CID 163422080

IUPAC(2S)-2-amino-N-(5-hydroxy-4-methoxypentyl)-4-methylpentanamide
SMILESCOC(CO)CCCNC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C12H26N2O3/c1-9(2)7-11(13)12(16)14-6-4-5-10(8-15)17-3/h9-11,15H,4-8,13H2,1-3H3,(H,14,16)/t10?,11-/m0/s1
InChIKeyAJHJJUUSZBMFOR-DTIOYNMSSA-N
MW246.35 g/mol
LogP0.26
Rot. Bonds9

About (2S)-2-amino-N-(5-hydroxy-4-methoxypentyl)-4-methylpentanamide

(2S)-2-amino-N-(5-hydroxy-4-methoxypentyl)-4-methylpentanamide (PubChem CID 163422080) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is (2S)-2-amino-N-(5-hydroxy-4-methoxypentyl)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(5-hydroxy-4-methoxypentyl)-4-methylpentanamide
PubChem CID163422080
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name(2S)-2-amino-N-(5-hydroxy-4-methoxypentyl)-4-methylpentanamide
SMILESCOC(CO)CCCNC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C12H26N2O3/c1-9(2)7-11(13)12(16)14-6-4-5-10(8-15)17-3/h9-11,15H,4-8,13H2,1-3H3,(H,14,16)/t10?,11-/m0/s1
InChIKeyAJHJJUUSZBMFOR-DTIOYNMSSA-N
XLogP0.26
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-4-methyl-N-(4-methylpentyl)pentanamide
CID 61158361
2-amino-N-(3-methoxypropyl)-4-methylpentanamide
CID 22170060
(2S)-2-amino-4-methyl-N-(3-propan-2-yloxypropyl)pentanamide
CID 61275418
2-amino-N-(5-amino-5-oxopentyl)-4-methylpentanamide
CID 106235612
(2S)-2-amino-7-hydroxy-6-methoxyheptanoic acid
CID 58488948
(2R)-2-amino-N-[2-(2-methoxyethoxy)ethyl]-4-methylpentanamide
CID 104903353
(2R)-2-amino-N-(3-cyclopropylpropyl)-4-methylpentanamide
CID 104904077
2-amino-5-methoxy-N-(4-methylpentyl)pentanamide
CID 81089350
N-(4-aminopentyl)-2-methoxypropanamide
CID 106122458
(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylpentanamide
CID 119817789
(2R)-2-amino-4-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide
CID 104904081
(2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-4-methylpentanamide
CID 61155391

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(5-hydroxy-4-methoxypentyl)-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(5-hydroxy-4-methoxypentyl)-4-methylpentanamide (CID 163422080) is (2S)-2-amino-N-(5-hydroxy-4-methoxypentyl)-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(5-hydroxy-4-methoxypentyl)-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(5-hydroxy-4-methoxypentyl)-4-methylpentanamide is COC(CO)CCCNC(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-N-(5-hydroxy-4-methoxypentyl)-4-methylpentanamide?
The InChIKey is AJHJJUUSZBMFOR-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-9(2)7-11(13)12(16)14-6-4-5-10(8-15)17-3/h9-11,15H,4-8,13H2,1-3H3,(H,14,16)/t10?,11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(5-hydroxy-4-methoxypentyl)-4-methylpentanamide?
(2S)-2-amino-N-(5-hydroxy-4-methoxypentyl)-4-methylpentanamide has a molecular weight of 246.35 g/mol, XLogP of 0.26, 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-(5-hydroxy-4-methoxypentyl)-4-methylpentanamide is sourced from PubChem (CID 163422080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).