2-hydroxyacetaldehyde;2-(methylamino)pentanedioic acid

C8H15NO6 — CID 143106959

IUPAC2-hydroxyacetaldehyde;2-(methylamino)pentanedioic acid
SMILESCNC(CCC(=O)O)C(=O)O.O=CCO
InChIInChI=1S/C6H11NO4.C2H4O2/c1-7-4(6(10)11)2-3-5(8)9;3-1-2-4/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11);1,4H,2H2
InChIKeyMJLYRNOQNIYFBR-UHFFFAOYSA-N
MW221.21 g/mol
LogP-1.30
Rot. Bonds6

About 2-hydroxyacetaldehyde;2-(methylamino)pentanedioic acid

2-hydroxyacetaldehyde;2-(methylamino)pentanedioic acid (PubChem CID 143106959) has the molecular formula C8H15NO6 and a molecular weight of 221.21 g/mol. Its IUPAC name is 2-hydroxyacetaldehyde;2-(methylamino)pentanedioic acid.

Molecular Properties

Compound Name2-hydroxyacetaldehyde;2-(methylamino)pentanedioic acid
PubChem CID143106959
Molecular FormulaC8H15NO6
Molecular Weight221.21 g/mol
Exact Mass221.09
IUPAC Name2-hydroxyacetaldehyde;2-(methylamino)pentanedioic acid
SMILESCNC(CCC(=O)O)C(=O)O.O=CCO
InChIInChI=1S/C6H11NO4.C2H4O2/c1-7-4(6(10)11)2-3-5(8)9;3-1-2-4/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11);1,4H,2H2
InChIKeyMJLYRNOQNIYFBR-UHFFFAOYSA-N
XLogP-1.30
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 5-1.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-formamidopentanedioic acid;2-(methylamino)hexanoic acid
CID 142524099
ethane;2-formamidopentanedioic acid;2-(methylamino)hexanoic acid
CID 142524077
(4S)-5-[(1-carboxy-2-formamidoethyl)amino]-4-(methylamino)-5-oxopentanoic acid
CID 166852820
(4S)-5-iodo-4-(methylamino)-5-oxopentanoic acid
CID 118303517
2-(methylamino)-5-sulfanylidenehexanoic acid
CID 58234757
(2S)-5-methoxy-2-(methylamino)-5-oxopentanoic acid;hydrochloride
CID 122173679
ethane;6-methyl-4-(methylamino)-5-oxoheptanoic acid
CID 177135801
5-(1,3-dihydroxypropan-2-ylamino)-2-(methylamino)-5-oxopentanoic acid
CID 153357969
(2R)-2-(methylamino)pentanoic acid
CID 15677248
(2R)-2-acetamidopentanedioic acid
CID 161394708
2-hydroxyacetaldehyde;2-(methylamino)propanoic acid;propane
CID 170591176
(2S)-2-(methylamino)pentanoic acid;molecular hydrogen;propane
CID 169240700

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyacetaldehyde;2-(methylamino)pentanedioic acid?
The IUPAC name of 2-hydroxyacetaldehyde;2-(methylamino)pentanedioic acid (CID 143106959) is 2-hydroxyacetaldehyde;2-(methylamino)pentanedioic acid.
What is the SMILES notation for 2-hydroxyacetaldehyde;2-(methylamino)pentanedioic acid?
The canonical SMILES for 2-hydroxyacetaldehyde;2-(methylamino)pentanedioic acid is CNC(CCC(=O)O)C(=O)O.O=CCO.
What is the InChIKey of 2-hydroxyacetaldehyde;2-(methylamino)pentanedioic acid?
The InChIKey is MJLYRNOQNIYFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4.C2H4O2/c1-7-4(6(10)11)2-3-5(8)9;3-1-2-4/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11);1,4H,2H2.
What are the key properties of 2-hydroxyacetaldehyde;2-(methylamino)pentanedioic acid?
2-hydroxyacetaldehyde;2-(methylamino)pentanedioic acid has a molecular weight of 221.21 g/mol, XLogP of -1.30, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyacetaldehyde;2-(methylamino)pentanedioic acid is sourced from PubChem (CID 143106959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).