2-amino-1-hydroxy-6-methoxyhexan-3-one;methane

C8H19NO3 — CID 162214807

IUPAC2-amino-1-hydroxy-6-methoxyhexan-3-one;methane
SMILESC.COCCCC(=O)C(N)CO
InChIInChI=1S/C7H15NO3.CH4/c1-11-4-2-3-7(10)6(8)5-9;/h6,9H,2-5,8H2,1H3;1H4
InChIKeyZTHXMJUYXZKDHB-UHFFFAOYSA-N
MW177.24 g/mol
LogP-0.06
Rot. Bonds6

About 2-amino-1-hydroxy-6-methoxyhexan-3-one;methane

2-amino-1-hydroxy-6-methoxyhexan-3-one;methane (PubChem CID 162214807) has the molecular formula C8H19NO3 and a molecular weight of 177.24 g/mol. Its IUPAC name is 2-amino-1-hydroxy-6-methoxyhexan-3-one;methane.

Molecular Properties

Compound Name2-amino-1-hydroxy-6-methoxyhexan-3-one;methane
PubChem CID162214807
Molecular FormulaC8H19NO3
Molecular Weight177.24 g/mol
Exact Mass177.14
IUPAC Name2-amino-1-hydroxy-6-methoxyhexan-3-one;methane
SMILESC.COCCCC(=O)C(N)CO
InChIInChI=1S/C7H15NO3.CH4/c1-11-4-2-3-7(10)6(8)5-9;/h6,9H,2-5,8H2,1H3;1H4
InChIKeyZTHXMJUYXZKDHB-UHFFFAOYSA-N
XLogP-0.06
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-hydroxyoctadecan-3-one
CID 631
[2-(5-amino-9-methoxy-6-oxononyl)hydrazinyl]azanium
CID 159835574
(2R)-2-amino-1-hydroxyoctadecan-3-one;hydrochloride
CID 56846070
2-amino-3-hydroxy-N-(2-methoxyethyl)propanamide
CID 59658304
5-amino-1-ethylsulfonyl-8-methoxyoctan-4-one
CID 116593760
4-methoxybutanamide
CID 22414177
4-methoxybutanamide;hydrochloride
CID 141117964
1,5-dimethoxy-6-methylheptan-4-one
CID 114854364
3-amino-1,6-dimethoxyhexan-2-one
CID 116593700
1,8-dimethoxyoctane-4,5-dione
CID 139993978
2-amino-5-methoxypentanoic acid
CID 18361135
2-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methoxypentanamide
CID 81100884

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-hydroxy-6-methoxyhexan-3-one;methane?
The IUPAC name of 2-amino-1-hydroxy-6-methoxyhexan-3-one;methane (CID 162214807) is 2-amino-1-hydroxy-6-methoxyhexan-3-one;methane.
What is the SMILES notation for 2-amino-1-hydroxy-6-methoxyhexan-3-one;methane?
The canonical SMILES for 2-amino-1-hydroxy-6-methoxyhexan-3-one;methane is C.COCCCC(=O)C(N)CO.
What is the InChIKey of 2-amino-1-hydroxy-6-methoxyhexan-3-one;methane?
The InChIKey is ZTHXMJUYXZKDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3.CH4/c1-11-4-2-3-7(10)6(8)5-9;/h6,9H,2-5,8H2,1H3;1H4.
What are the key properties of 2-amino-1-hydroxy-6-methoxyhexan-3-one;methane?
2-amino-1-hydroxy-6-methoxyhexan-3-one;methane has a molecular weight of 177.24 g/mol, XLogP of -0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-hydroxy-6-methoxyhexan-3-one;methane is sourced from PubChem (CID 162214807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).