6-(methylamino)-2-(methylcarbamoylamino)hexanoic acid

C9H19N3O3 — CID 20593439

IUPAC6-(methylamino)-2-(methylcarbamoylamino)hexanoic acid
SMILESCNCCCCC(NC(=O)NC)C(=O)O
InChIInChI=1S/C9H19N3O3/c1-10-6-4-3-5-7(8(13)14)12-9(15)11-2/h7,10H,3-6H2,1-2H3,(H,13,14)(H2,11,12,15)
InChIKeyDRUNPXVHTUIGCR-UHFFFAOYSA-N
MW217.27 g/mol
LogP-0.24
Rot. Bonds7

About 6-(methylamino)-2-(methylcarbamoylamino)hexanoic acid

6-(methylamino)-2-(methylcarbamoylamino)hexanoic acid (PubChem CID 20593439) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is 6-(methylamino)-2-(methylcarbamoylamino)hexanoic acid.

Molecular Properties

Compound Name6-(methylamino)-2-(methylcarbamoylamino)hexanoic acid
PubChem CID20593439
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC Name6-(methylamino)-2-(methylcarbamoylamino)hexanoic acid
SMILESCNCCCCC(NC(=O)NC)C(=O)O
InChIInChI=1S/C9H19N3O3/c1-10-6-4-3-5-7(8(13)14)12-9(15)11-2/h7,10H,3-6H2,1-2H3,(H,13,14)(H2,11,12,15)
InChIKeyDRUNPXVHTUIGCR-UHFFFAOYSA-N
XLogP-0.24
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-0.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[1-carboxy-5-(methylamino)pentyl]carbamoylamino]pentanedioic acid
CID 146551255
2-[[(1S)-1-carboxy-5-(methylamino)pentyl]carbamoylamino]pentanedioic acid;ethane;methane
CID 144767958
(2S)-2-[[(1S)-1-carboxybut-3-ynyl]carbamoylamino]-6-(methylamino)hexanoic acid
CID 162474842
6-(methylamino)-2-(2-methylheptanoylamino)hexanoic acid
CID 118032738
(2R)-4-hydroxy-2-(methylcarbamoylamino)butanoic acid
CID 91507162
2-[2,6-bis(methylamino)hexanoylamino]hexanoic acid;ethane
CID 142905874
N,2-dimethyl-6-(methylamino)hexanamide
CID 153084375
2-methyl-5-(methylamino)pentanoic acid
CID 59942755
(2S)-5-methoxy-2-[3-(methylamino)propylcarbamoylamino]-5-oxopentanoic acid
CID 107826533
2-acetamido-N-methyl-6-(methylamino)hexanamide;ethane
CID 171511904
(2S)-2-[(2-aminobenzoyl)amino]-6-(methylamino)hexanoic acid
CID 57078416
(3R)-3,7-bis(methylamino)heptan-2-one
CID 91227284

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-2-(methylcarbamoylamino)hexanoic acid?
The IUPAC name of 6-(methylamino)-2-(methylcarbamoylamino)hexanoic acid (CID 20593439) is 6-(methylamino)-2-(methylcarbamoylamino)hexanoic acid.
What is the SMILES notation for 6-(methylamino)-2-(methylcarbamoylamino)hexanoic acid?
The canonical SMILES for 6-(methylamino)-2-(methylcarbamoylamino)hexanoic acid is CNCCCCC(NC(=O)NC)C(=O)O.
What is the InChIKey of 6-(methylamino)-2-(methylcarbamoylamino)hexanoic acid?
The InChIKey is DRUNPXVHTUIGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-10-6-4-3-5-7(8(13)14)12-9(15)11-2/h7,10H,3-6H2,1-2H3,(H,13,14)(H2,11,12,15).
What are the key properties of 6-(methylamino)-2-(methylcarbamoylamino)hexanoic acid?
6-(methylamino)-2-(methylcarbamoylamino)hexanoic acid has a molecular weight of 217.27 g/mol, XLogP of -0.24, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-2-(methylcarbamoylamino)hexanoic acid is sourced from PubChem (CID 20593439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).