3-(2-methylpropylamino)-2-oxopropanal

C7H13NO2 — CID 58812198

IUPAC3-(2-methylpropylamino)-2-oxopropanal
SMILESCC(C)CNCC(=O)C=O
InChIInChI=1S/C7H13NO2/c1-6(2)3-8-4-7(10)5-9/h5-6,8H,3-4H2,1-2H3
InChIKeyFPFFKSUNUCVMOI-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.00
Rot. Bonds5

About 3-(2-methylpropylamino)-2-oxopropanal

3-(2-methylpropylamino)-2-oxopropanal (PubChem CID 58812198) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-(2-methylpropylamino)-2-oxopropanal.

Molecular Properties

Compound Name3-(2-methylpropylamino)-2-oxopropanal
PubChem CID58812198
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name3-(2-methylpropylamino)-2-oxopropanal
SMILESCC(C)CNCC(=O)C=O
InChIInChI=1S/C7H13NO2/c1-6(2)3-8-4-7(10)5-9/h5-6,8H,3-4H2,1-2H3
InChIKeyFPFFKSUNUCVMOI-UHFFFAOYSA-N
XLogP-0.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropylamino)-2-oxopropanal?
The IUPAC name of 3-(2-methylpropylamino)-2-oxopropanal (CID 58812198) is 3-(2-methylpropylamino)-2-oxopropanal.
What is the SMILES notation for 3-(2-methylpropylamino)-2-oxopropanal?
The canonical SMILES for 3-(2-methylpropylamino)-2-oxopropanal is CC(C)CNCC(=O)C=O.
What is the InChIKey of 3-(2-methylpropylamino)-2-oxopropanal?
The InChIKey is FPFFKSUNUCVMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-6(2)3-8-4-7(10)5-9/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 3-(2-methylpropylamino)-2-oxopropanal?
3-(2-methylpropylamino)-2-oxopropanal has a molecular weight of 143.19 g/mol, XLogP of -0.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropylamino)-2-oxopropanal is sourced from PubChem (CID 58812198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).