6-[[(2R)-1-methoxy-1-oxobutan-2-yl]amino]-6-oxohexanoic acid

C11H19NO5 — CID 163407483

IUPAC6-[[(2R)-1-methoxy-1-oxobutan-2-yl]amino]-6-oxohexanoic acid
SMILESCC[C@@H](NC(=O)CCCCC(=O)O)C(=O)OC
InChIInChI=1S/C11H19NO5/c1-3-8(11(16)17-2)12-9(13)6-4-5-7-10(14)15/h8H,3-7H2,1-2H3,(H,12,13)(H,14,15)/t8-/m1/s1
InChIKeyNRKJKZLRKSSGBL-MRVPVSSYSA-N
MW245.27 g/mol
LogP0.70
Rot. Bonds8

About 6-[[(2R)-1-methoxy-1-oxobutan-2-yl]amino]-6-oxohexanoic acid

6-[[(2R)-1-methoxy-1-oxobutan-2-yl]amino]-6-oxohexanoic acid (PubChem CID 163407483) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 6-[[(2R)-1-methoxy-1-oxobutan-2-yl]amino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[[(2R)-1-methoxy-1-oxobutan-2-yl]amino]-6-oxohexanoic acid
PubChem CID163407483
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name6-[[(2R)-1-methoxy-1-oxobutan-2-yl]amino]-6-oxohexanoic acid
SMILESCC[C@@H](NC(=O)CCCCC(=O)O)C(=O)OC
InChIInChI=1S/C11H19NO5/c1-3-8(11(16)17-2)12-9(13)6-4-5-7-10(14)15/h8H,3-7H2,1-2H3,(H,12,13)(H,14,15)/t8-/m1/s1
InChIKeyNRKJKZLRKSSGBL-MRVPVSSYSA-N
XLogP0.70
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[[(2R)-1-methoxy-1-oxobutan-2-yl]amino]-6-oxohexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-6-oxohexanoic acid
CID 163407486
(3R)-4-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-3-(octanoylamino)-4-oxobutanoic acid
CID 146381737
methyl (2R)-3-hydroxy-2-[[5-[[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]amino]-5-oxopentanoyl]amino]propanoate
CID 90449496
3-[(1-methoxy-1-oxobutan-2-yl)amino]propanoic acid
CID 115352380
methyl 4-methyl-2-(tridecanoylamino)pentanoate
CID 19368983
dimethyl (2S)-2-(tridecanoylamino)butanedioate
CID 54435456
(4R)-5-methoxy-4-[[(2S)-3-methyl-2-(tetradecanoylamino)pentanoyl]amino]-5-oxopentanoic acid
CID 118668683
(4R)-5-methoxy-4-[[(2S)-2-(octadecanoylamino)propanoyl]amino]-5-oxopentanoic acid
CID 14210835
methyl (2S)-2-acetamidobutanoate
CID 11084154
dimethyl 2-(hexadecanoylamino)pentanedioate
CID 23539986
methyl 2-(hexanoylamino)-3-hexanoylsulfanylpropanoate
CID 531529
2-[4-(methylamino)butanoylamino]butanoic acid
CID 61161586

Frequently Asked Questions

What is the IUPAC name of 6-[[(2R)-1-methoxy-1-oxobutan-2-yl]amino]-6-oxohexanoic acid?
The IUPAC name of 6-[[(2R)-1-methoxy-1-oxobutan-2-yl]amino]-6-oxohexanoic acid (CID 163407483) is 6-[[(2R)-1-methoxy-1-oxobutan-2-yl]amino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[[(2R)-1-methoxy-1-oxobutan-2-yl]amino]-6-oxohexanoic acid?
The canonical SMILES for 6-[[(2R)-1-methoxy-1-oxobutan-2-yl]amino]-6-oxohexanoic acid is CC[C@@H](NC(=O)CCCCC(=O)O)C(=O)OC.
What is the InChIKey of 6-[[(2R)-1-methoxy-1-oxobutan-2-yl]amino]-6-oxohexanoic acid?
The InChIKey is NRKJKZLRKSSGBL-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-3-8(11(16)17-2)12-9(13)6-4-5-7-10(14)15/h8H,3-7H2,1-2H3,(H,12,13)(H,14,15)/t8-/m1/s1.
What are the key properties of 6-[[(2R)-1-methoxy-1-oxobutan-2-yl]amino]-6-oxohexanoic acid?
6-[[(2R)-1-methoxy-1-oxobutan-2-yl]amino]-6-oxohexanoic acid has a molecular weight of 245.27 g/mol, XLogP of 0.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R)-1-methoxy-1-oxobutan-2-yl]amino]-6-oxohexanoic acid is sourced from PubChem (CID 163407483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).