(2S)-2-amino-2-(hydroxymethyl)-4-methylpentanal

C7H15NO2 — CID 166707756

IUPAC(2S)-2-amino-2-(hydroxymethyl)-4-methylpentanal
SMILESCC(C)C[C@@](N)(C=O)CO
InChIInChI=1S/C7H15NO2/c1-6(2)3-7(8,4-9)5-10/h4,6,10H,3,5,8H2,1-2H3/t7-/m1/s1
InChIKeyNEPRCTADGJSDTM-SSDOTTSWSA-N
MW145.20 g/mol
LogP-0.08
Rot. Bonds4

About (2S)-2-amino-2-(hydroxymethyl)-4-methylpentanal

(2S)-2-amino-2-(hydroxymethyl)-4-methylpentanal (PubChem CID 166707756) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (2S)-2-amino-2-(hydroxymethyl)-4-methylpentanal.

Molecular Properties

Compound Name(2S)-2-amino-2-(hydroxymethyl)-4-methylpentanal
PubChem CID166707756
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(2S)-2-amino-2-(hydroxymethyl)-4-methylpentanal
SMILESCC(C)C[C@@](N)(C=O)CO
InChIInChI=1S/C7H15NO2/c1-6(2)3-7(8,4-9)5-10/h4,6,10H,3,5,8H2,1-2H3/t7-/m1/s1
InChIKeyNEPRCTADGJSDTM-SSDOTTSWSA-N
XLogP-0.08
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.08
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,4S)-2,4-diamino-2-(hydroxymethyl)-6-methylheptanal
CID 173420855
2-ethyl-2-(hydroxymethyl)-4-methylpentanal
CID 154351478
2-hydroxy-4-methyl-2-(2-methylpropyl)pentanal
CID 10487411
methanamine;molecular hydrogen;2,2,4-trimethylpentanal
CID 177024221
2-amino-4-methyl-2-oxaldehydoylpentanoic acid
CID 175537658
(3S)-3-amino-5-methylhexane-1,3-diol
CID 130357952
(2R)-2-amino-2,4-dimethylpentanamide
CID 14037824
2,4-bis(3-methylbutan-2-yl)-2,4-bis(2-methylpropyl)-3-oxopentanedial
CID 169225610
(2R)-2-amino-2-ethenyl-4-methylpentanoic acid
CID 10511127
[(2S)-2-amino-4-methylpentan-2-yl]phosphonic acid
CID 7167688
5-hydroxy-2,2,4-trimethylpentanal
CID 91088548
3-amino-5-methylhexan-3-ol
CID 19828897

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(hydroxymethyl)-4-methylpentanal?
The IUPAC name of (2S)-2-amino-2-(hydroxymethyl)-4-methylpentanal (CID 166707756) is (2S)-2-amino-2-(hydroxymethyl)-4-methylpentanal.
What is the SMILES notation for (2S)-2-amino-2-(hydroxymethyl)-4-methylpentanal?
The canonical SMILES for (2S)-2-amino-2-(hydroxymethyl)-4-methylpentanal is CC(C)C[C@@](N)(C=O)CO.
What is the InChIKey of (2S)-2-amino-2-(hydroxymethyl)-4-methylpentanal?
The InChIKey is NEPRCTADGJSDTM-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H15NO2/c1-6(2)3-7(8,4-9)5-10/h4,6,10H,3,5,8H2,1-2H3/t7-/m1/s1.
What are the key properties of (2S)-2-amino-2-(hydroxymethyl)-4-methylpentanal?
(2S)-2-amino-2-(hydroxymethyl)-4-methylpentanal has a molecular weight of 145.20 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(hydroxymethyl)-4-methylpentanal is sourced from PubChem (CID 166707756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).