6-[(2-hydroxy-3-methoxy-3-oxopropyl)amino]-6-oxohexanoic acid

C10H17NO6 — CID 107214923

IUPAC6-[(2-hydroxy-3-methoxy-3-oxopropyl)amino]-6-oxohexanoic acid
SMILESCOC(=O)C(O)CNC(=O)CCCCC(=O)O
InChIInChI=1S/C10H17NO6/c1-17-10(16)7(12)6-11-8(13)4-2-3-5-9(14)15/h7,12H,2-6H2,1H3,(H,11,13)(H,14,15)
InChIKeyFTWFTUKNVNGWJW-UHFFFAOYSA-N
MW247.25 g/mol
LogP-0.72
Rot. Bonds8

About 6-[(2-hydroxy-3-methoxy-3-oxopropyl)amino]-6-oxohexanoic acid

6-[(2-hydroxy-3-methoxy-3-oxopropyl)amino]-6-oxohexanoic acid (PubChem CID 107214923) has the molecular formula C10H17NO6 and a molecular weight of 247.25 g/mol. Its IUPAC name is 6-[(2-hydroxy-3-methoxy-3-oxopropyl)amino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[(2-hydroxy-3-methoxy-3-oxopropyl)amino]-6-oxohexanoic acid
PubChem CID107214923
Molecular FormulaC10H17NO6
Molecular Weight247.25 g/mol
Exact Mass247.11
IUPAC Name6-[(2-hydroxy-3-methoxy-3-oxopropyl)amino]-6-oxohexanoic acid
SMILESCOC(=O)C(O)CNC(=O)CCCCC(=O)O
InChIInChI=1S/C10H17NO6/c1-17-10(16)7(12)6-11-8(13)4-2-3-5-9(14)15/h7,12H,2-6H2,1H3,(H,11,13)(H,14,15)
InChIKeyFTWFTUKNVNGWJW-UHFFFAOYSA-N
XLogP-0.72
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(decanoylamino)-2-hydroxypropanoate
CID 103957869
15-hydroxy-16-methoxy-16-oxohexadecanoic acid
CID 71336808
methyl 3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoate
CID 103879246
6-[(2-hydroxy-4-methylpentyl)amino]-6-oxohexanoic acid
CID 107151219
methyl 2-hydroxy-3-[4-(4-methylphenoxy)butanoylamino]propanoate
CID 103957800
methyl 3-[(6-amino-4,4-dimethylhexanoyl)amino]-2-hydroxypropanoate
CID 107222651
methyl 3-[(3-amino-3-methylbutanoyl)amino]-2-hydroxypropanoate
CID 107222707
(4R)-4-hydroxy-5-methoxy-5-oxopentanoic acid
CID 92975324
methyl 3-[3-(4-ethylphenyl)propanoylamino]-2-hydroxypropanoate
CID 103879309
6-[(2-methyl-3-methylsulfanylpropyl)amino]-6-oxohexanoic acid
CID 63980810
6-[[(2R)-1-methoxy-1-oxobutan-2-yl]amino]-6-oxohexanoic acid
CID 163407483
4-[(2-hydroxy-3-methoxy-3-oxopropyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 107214917

Frequently Asked Questions

What is the IUPAC name of 6-[(2-hydroxy-3-methoxy-3-oxopropyl)amino]-6-oxohexanoic acid?
The IUPAC name of 6-[(2-hydroxy-3-methoxy-3-oxopropyl)amino]-6-oxohexanoic acid (CID 107214923) is 6-[(2-hydroxy-3-methoxy-3-oxopropyl)amino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[(2-hydroxy-3-methoxy-3-oxopropyl)amino]-6-oxohexanoic acid?
The canonical SMILES for 6-[(2-hydroxy-3-methoxy-3-oxopropyl)amino]-6-oxohexanoic acid is COC(=O)C(O)CNC(=O)CCCCC(=O)O.
What is the InChIKey of 6-[(2-hydroxy-3-methoxy-3-oxopropyl)amino]-6-oxohexanoic acid?
The InChIKey is FTWFTUKNVNGWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO6/c1-17-10(16)7(12)6-11-8(13)4-2-3-5-9(14)15/h7,12H,2-6H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 6-[(2-hydroxy-3-methoxy-3-oxopropyl)amino]-6-oxohexanoic acid?
6-[(2-hydroxy-3-methoxy-3-oxopropyl)amino]-6-oxohexanoic acid has a molecular weight of 247.25 g/mol, XLogP of -0.72, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-hydroxy-3-methoxy-3-oxopropyl)amino]-6-oxohexanoic acid is sourced from PubChem (CID 107214923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).