(2S)-2-amino-2-(1-methylcyclopentyl)acetaldehyde

C8H15NO — CID 90058133

IUPAC(2S)-2-amino-2-(1-methylcyclopentyl)acetaldehyde
SMILESCC1([C@H](N)C=O)CCCC1
InChIInChI=1S/C8H15NO/c1-8(7(9)6-10)4-2-3-5-8/h6-7H,2-5,9H2,1H3/t7-/m1/s1
InChIKeyFZEPTAADSJUJRZ-SSDOTTSWSA-N
MW141.21 g/mol
LogP1.09
Rot. Bonds2

About (2S)-2-amino-2-(1-methylcyclopentyl)acetaldehyde

(2S)-2-amino-2-(1-methylcyclopentyl)acetaldehyde (PubChem CID 90058133) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (2S)-2-amino-2-(1-methylcyclopentyl)acetaldehyde.

Molecular Properties

Compound Name(2S)-2-amino-2-(1-methylcyclopentyl)acetaldehyde
PubChem CID90058133
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(2S)-2-amino-2-(1-methylcyclopentyl)acetaldehyde
SMILESCC1([C@H](N)C=O)CCCC1
InChIInChI=1S/C8H15NO/c1-8(7(9)6-10)4-2-3-5-8/h6-7H,2-5,9H2,1H3/t7-/m1/s1
InChIKeyFZEPTAADSJUJRZ-SSDOTTSWSA-N
XLogP1.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(1-methylcyclopentyl)acetaldehyde?
The IUPAC name of (2S)-2-amino-2-(1-methylcyclopentyl)acetaldehyde (CID 90058133) is (2S)-2-amino-2-(1-methylcyclopentyl)acetaldehyde.
What is the SMILES notation for (2S)-2-amino-2-(1-methylcyclopentyl)acetaldehyde?
The canonical SMILES for (2S)-2-amino-2-(1-methylcyclopentyl)acetaldehyde is CC1([C@H](N)C=O)CCCC1.
What is the InChIKey of (2S)-2-amino-2-(1-methylcyclopentyl)acetaldehyde?
The InChIKey is FZEPTAADSJUJRZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15NO/c1-8(7(9)6-10)4-2-3-5-8/h6-7H,2-5,9H2,1H3/t7-/m1/s1.
What are the key properties of (2S)-2-amino-2-(1-methylcyclopentyl)acetaldehyde?
(2S)-2-amino-2-(1-methylcyclopentyl)acetaldehyde has a molecular weight of 141.21 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(1-methylcyclopentyl)acetaldehyde is sourced from PubChem (CID 90058133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).