acetaldehyde;(2S)-2,6-diaminohexanoic acid

C8H18N2O3 — CID 87191323

IUPACacetaldehyde;(2S)-2,6-diaminohexanoic acid
SMILESCC=O.NCCCC[C@H](N)C(=O)O
InChIInChI=1S/C6H14N2O2.C2H4O/c7-4-2-1-3-5(8)6(9)10;1-2-3/h5H,1-4,7-8H2,(H,9,10);2H,1H3/t5-;/m0./s1
InChIKeyUIYSCVVVCYQOOJ-JEDNCBNOSA-N
MW190.24 g/mol
LogP-0.27
Rot. Bonds5

About acetaldehyde;(2S)-2,6-diaminohexanoic acid

acetaldehyde;(2S)-2,6-diaminohexanoic acid (PubChem CID 87191323) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is acetaldehyde;(2S)-2,6-diaminohexanoic acid.

Molecular Properties

Compound Nameacetaldehyde;(2S)-2,6-diaminohexanoic acid
PubChem CID87191323
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Nameacetaldehyde;(2S)-2,6-diaminohexanoic acid
SMILESCC=O.NCCCC[C@H](N)C(=O)O
InChIInChI=1S/C6H14N2O2.C2H4O/c7-4-2-1-3-5(8)6(9)10;1-2-3/h5H,1-4,7-8H2,(H,9,10);2H,1H3/t5-;/m0./s1
InChIKeyUIYSCVVVCYQOOJ-JEDNCBNOSA-N
XLogP-0.27
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
2,13-diaminotridecanoic acid
CID 141414897
2,6-diaminohexanoic acid;titanium
CID 174642581
2,6-diaminohexanoic acid;2,5-diaminopentanoic acid
CID 18793360
tris((2S)-2,6-diaminohexanoic acid);iron
CID 153408479
CID 158432126
CID 158432126
tetrakis(2,6-diaminohexanoic acid);dihydrochloride
CID 174145709
(2S)-2,6-diamino(213C)hexanoic acid;hydrochloride
CID 71309084
sodium 2,6-diaminohexanoic acid
CID 18320454
(2S)-2,6-diaminohexanoic acid;pentane-1,5-diamine
CID 87328180
(2S)-2,6-bis(15N)(azanyl)hexanoic acid;dihydrochloride
CID 163409206
2-amino-6-(15N)azanylhexanoic acid;dihydrochloride
CID 45157533

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;(2S)-2,6-diaminohexanoic acid?
The IUPAC name of acetaldehyde;(2S)-2,6-diaminohexanoic acid (CID 87191323) is acetaldehyde;(2S)-2,6-diaminohexanoic acid.
What is the SMILES notation for acetaldehyde;(2S)-2,6-diaminohexanoic acid?
The canonical SMILES for acetaldehyde;(2S)-2,6-diaminohexanoic acid is CC=O.NCCCC[C@H](N)C(=O)O.
What is the InChIKey of acetaldehyde;(2S)-2,6-diaminohexanoic acid?
The InChIKey is UIYSCVVVCYQOOJ-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H14N2O2.C2H4O/c7-4-2-1-3-5(8)6(9)10;1-2-3/h5H,1-4,7-8H2,(H,9,10);2H,1H3/t5-;/m0./s1.
What are the key properties of acetaldehyde;(2S)-2,6-diaminohexanoic acid?
acetaldehyde;(2S)-2,6-diaminohexanoic acid has a molecular weight of 190.24 g/mol, XLogP of -0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;(2S)-2,6-diaminohexanoic acid is sourced from PubChem (CID 87191323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).