(2S)-2-aminopentanal

C5H10NO- — CID 138857465

IUPAC(2S)-2-aminopentanal
SMILES[CH2-]CC[C@H](N)C=O
InChIInChI=1S/C5H10NO/c1-2-3-5(6)4-7/h4-5H,1-3,6H2/q-1/t5-/m0/s1
InChIKeyFIRMDRXNYSFAAS-YFKPBYRVSA-N
MW100.14 g/mol
LogP0.13
Rot. Bonds3

About (2S)-2-aminopentanal

(2S)-2-aminopentanal (PubChem CID 138857465) has the molecular formula C5H10NO- and a molecular weight of 100.14 g/mol. Its IUPAC name is (2S)-2-aminopentanal.

Molecular Properties

Compound Name(2S)-2-aminopentanal
PubChem CID138857465
Molecular FormulaC5H10NO-
Molecular Weight100.14 g/mol
Exact Mass100.08
IUPAC Name(2S)-2-aminopentanal
SMILES[CH2-]CC[C@H](N)C=O
InChIInChI=1S/C5H10NO/c1-2-3-5(6)4-7/h4-5H,1-3,6H2/q-1/t5-/m0/s1
InChIKeyFIRMDRXNYSFAAS-YFKPBYRVSA-N
XLogP0.13
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.14
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-aminopentanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopentanal?
The IUPAC name of (2S)-2-aminopentanal (CID 138857465) is (2S)-2-aminopentanal.
What is the SMILES notation for (2S)-2-aminopentanal?
The canonical SMILES for (2S)-2-aminopentanal is [CH2-]CC[C@H](N)C=O.
What is the InChIKey of (2S)-2-aminopentanal?
The InChIKey is FIRMDRXNYSFAAS-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H10NO/c1-2-3-5(6)4-7/h4-5H,1-3,6H2/q-1/t5-/m0/s1.
What are the key properties of (2S)-2-aminopentanal?
(2S)-2-aminopentanal has a molecular weight of 100.14 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopentanal is sourced from PubChem (CID 138857465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).