acetaldehyde;(2R)-2-amino-4-methylpentanoic acid

C8H17NO3 — CID 155104074

IUPACacetaldehyde;(2R)-2-amino-4-methylpentanoic acid
SMILESCC(C)C[C@@H](N)C(=O)O.CC=O
InChIInChI=1S/C6H13NO2.C2H4O/c1-4(2)3-5(7)6(8)9;1-2-3/h4-5H,3,7H2,1-2H3,(H,8,9);2H,1H3/t5-;/m1./s1
InChIKeyKLXXUGKZRYKKMV-NUBCRITNSA-N
MW175.23 g/mol
LogP0.65
Rot. Bonds3

About acetaldehyde;(2R)-2-amino-4-methylpentanoic acid

acetaldehyde;(2R)-2-amino-4-methylpentanoic acid (PubChem CID 155104074) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is acetaldehyde;(2R)-2-amino-4-methylpentanoic acid.

Molecular Properties

Compound Nameacetaldehyde;(2R)-2-amino-4-methylpentanoic acid
PubChem CID155104074
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Nameacetaldehyde;(2R)-2-amino-4-methylpentanoic acid
SMILESCC(C)C[C@@H](N)C(=O)O.CC=O
InChIInChI=1S/C6H13NO2.C2H4O/c1-4(2)3-5(7)6(8)9;1-2-3/h4-5H,3,7H2,1-2H3,(H,8,9);2H,1H3/t5-;/m1./s1
InChIKeyKLXXUGKZRYKKMV-NUBCRITNSA-N
XLogP0.65
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
2-amino-4-methylpentanoic acid;chromium
CID 88640601
(2S)-2-amino-4-methylpentanoic acid;hydrazine
CID 160824424
(2S)-2-amino-4-methylpentanoic acid;cerium
CID 86698944
CID 6369563
CID 6369563
sodium;(2S)-2-amino-4-methylpentanoic acid;hydride
CID 173065319
(2S)-2-amino-4-methylpentanoic acid;oxovanadium
CID 175017880
bis((2S)-2-amino-4-methylpentanoic acid);bis((2S)-2-aminopropanoic acid)
CID 57354298
(2S)-2-amino-4-methylpentanoic acid;2-hydroxyacetic acid
CID 160585227
(2S)-2-amino-4-methylpentanoic acid;propanoic acid
CID 158078275
acetyl chloride;(2S)-2-amino-4-methylpentanoic acid;hydrochloride
CID 56924245
(2S)-2-amino-4,4-dimethylpentanoic acid;(2S)-2-amino-4-methylpentanoic acid
CID 18635634

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;(2R)-2-amino-4-methylpentanoic acid?
The IUPAC name of acetaldehyde;(2R)-2-amino-4-methylpentanoic acid (CID 155104074) is acetaldehyde;(2R)-2-amino-4-methylpentanoic acid.
What is the SMILES notation for acetaldehyde;(2R)-2-amino-4-methylpentanoic acid?
The canonical SMILES for acetaldehyde;(2R)-2-amino-4-methylpentanoic acid is CC(C)C[C@@H](N)C(=O)O.CC=O.
What is the InChIKey of acetaldehyde;(2R)-2-amino-4-methylpentanoic acid?
The InChIKey is KLXXUGKZRYKKMV-NUBCRITNSA-N. The full InChI is InChI=1S/C6H13NO2.C2H4O/c1-4(2)3-5(7)6(8)9;1-2-3/h4-5H,3,7H2,1-2H3,(H,8,9);2H,1H3/t5-;/m1./s1.
What are the key properties of acetaldehyde;(2R)-2-amino-4-methylpentanoic acid?
acetaldehyde;(2R)-2-amino-4-methylpentanoic acid has a molecular weight of 175.23 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;(2R)-2-amino-4-methylpentanoic acid is sourced from PubChem (CID 155104074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).