2-formamidopentanedioic acid;2-(methylamino)hexanoic acid

C13H24N2O7 — CID 142524099

IUPAC2-formamidopentanedioic acid;2-(methylamino)hexanoic acid
SMILESCCCCC(NC)C(=O)O.O=CNC(CCC(=O)O)C(=O)O
InChIInChI=1S/C7H15NO2.C6H9NO5/c1-3-4-5-6(8-2)7(9)10;8-3-7-4(6(11)12)1-2-5(9)10/h6,8H,3-5H2,1-2H3,(H,9,10);3-4H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyOUMDJFQLYWSLCR-UHFFFAOYSA-N
MW320.34 g/mol
LogP-0.10
Rot. Bonds11

About 2-formamidopentanedioic acid;2-(methylamino)hexanoic acid

2-formamidopentanedioic acid;2-(methylamino)hexanoic acid (PubChem CID 142524099) has the molecular formula C13H24N2O7 and a molecular weight of 320.34 g/mol. Its IUPAC name is 2-formamidopentanedioic acid;2-(methylamino)hexanoic acid.

Molecular Properties

Compound Name2-formamidopentanedioic acid;2-(methylamino)hexanoic acid
PubChem CID142524099
Molecular FormulaC13H24N2O7
Molecular Weight320.34 g/mol
Exact Mass320.16
IUPAC Name2-formamidopentanedioic acid;2-(methylamino)hexanoic acid
SMILESCCCCC(NC)C(=O)O.O=CNC(CCC(=O)O)C(=O)O
InChIInChI=1S/C7H15NO2.C6H9NO5/c1-3-4-5-6(8-2)7(9)10;8-3-7-4(6(11)12)1-2-5(9)10/h6,8H,3-5H2,1-2H3,(H,9,10);3-4H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyOUMDJFQLYWSLCR-UHFFFAOYSA-N
XLogP-0.10
TPSA153.03 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 5-0.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-formamidopentanedioic acid;2-(methylamino)hexanoic acid
CID 142524077
2-hydroxyacetaldehyde;2-(methylamino)pentanedioic acid
CID 143106959
3-[2-((113C)methylamino)(5,6-13C2)hexanoylamino]propanoic acid
CID 135251442
(2S)-2-(hexanoylamino)pentanedioic acid
CID 54368145
2-[[(2S)-2-aminohexanoyl]amino]pentanedioic acid
CID 107144810
(2R)-2-(methylamino)pentanoic acid
CID 15677248
(2S)-2-(tetradecanoylamino)pentanedioic acid
CID 18634845
2-(dodecanoylamino)pentanedioic acid;bis(hexane)
CID 175093348
(2R)-2-(undecanoylamino)pentanedioic acid
CID 11472521
(2S)-5-amino-2-formamido-5-oxopentanoic acid
CID 2054353
(2R)-5-amino-2-formamidopentanoic acid
CID 174416809
(2S)-2-(methylamino)pentanoic acid;molecular hydrogen;propane
CID 169240700

Frequently Asked Questions

What is the IUPAC name of 2-formamidopentanedioic acid;2-(methylamino)hexanoic acid?
The IUPAC name of 2-formamidopentanedioic acid;2-(methylamino)hexanoic acid (CID 142524099) is 2-formamidopentanedioic acid;2-(methylamino)hexanoic acid.
What is the SMILES notation for 2-formamidopentanedioic acid;2-(methylamino)hexanoic acid?
The canonical SMILES for 2-formamidopentanedioic acid;2-(methylamino)hexanoic acid is CCCCC(NC)C(=O)O.O=CNC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-formamidopentanedioic acid;2-(methylamino)hexanoic acid?
The InChIKey is OUMDJFQLYWSLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.C6H9NO5/c1-3-4-5-6(8-2)7(9)10;8-3-7-4(6(11)12)1-2-5(9)10/h6,8H,3-5H2,1-2H3,(H,9,10);3-4H,1-2H2,(H,7,8)(H,9,10)(H,11,12).
What are the key properties of 2-formamidopentanedioic acid;2-(methylamino)hexanoic acid?
2-formamidopentanedioic acid;2-(methylamino)hexanoic acid has a molecular weight of 320.34 g/mol, XLogP of -0.10, 11 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamidopentanedioic acid;2-(methylamino)hexanoic acid is sourced from PubChem (CID 142524099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).