(2S)-2-amino-1-deuteriopropan-1-one

C3H7NO — CID 57165774

IUPAC(2S)-2-amino-1-deuteriopropan-1-one
SMILES[2H]C(=O)[C@H](C)N
InChIInChI=1S/C3H7NO/c1-3(4)2-5/h2-3H,4H2,1H3/t3-/m0/s1/i2D
InChIKeyQPMCUNAXNMSGTK-XEWAXYEYSA-N
MW74.10 g/mol
LogP-0.47
Rot. Bonds1

About (2S)-2-amino-1-deuteriopropan-1-one

(2S)-2-amino-1-deuteriopropan-1-one (PubChem CID 57165774) has the molecular formula C3H7NO and a molecular weight of 74.10 g/mol. Its IUPAC name is (2S)-2-amino-1-deuteriopropan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-deuteriopropan-1-one
PubChem CID57165774
Molecular FormulaC3H7NO
Molecular Weight74.10 g/mol
Exact Mass74.06
IUPAC Name(2S)-2-amino-1-deuteriopropan-1-one
SMILES[2H]C(=O)[C@H](C)N
InChIInChI=1S/C3H7NO/c1-3(4)2-5/h2-3H,4H2,1H3/t3-/m0/s1/i2D
InChIKeyQPMCUNAXNMSGTK-XEWAXYEYSA-N
XLogP-0.47
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50074.10
LogP ≤ 5-0.47
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-1-deuteriopropan-1-one?
The IUPAC name of (2S)-2-amino-1-deuteriopropan-1-one (CID 57165774) is (2S)-2-amino-1-deuteriopropan-1-one.
What is the SMILES notation for (2S)-2-amino-1-deuteriopropan-1-one?
The canonical SMILES for (2S)-2-amino-1-deuteriopropan-1-one is [2H]C(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-1-deuteriopropan-1-one?
The InChIKey is QPMCUNAXNMSGTK-XEWAXYEYSA-N. The full InChI is InChI=1S/C3H7NO/c1-3(4)2-5/h2-3H,4H2,1H3/t3-/m0/s1/i2D.
What are the key properties of (2S)-2-amino-1-deuteriopropan-1-one?
(2S)-2-amino-1-deuteriopropan-1-one has a molecular weight of 74.10 g/mol, XLogP of -0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-deuteriopropan-1-one is sourced from PubChem (CID 57165774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).