N-[(2S)-3-methyl-1-oxobutan-2-yl]propanamide

C8H15NO2 — CID 22819061

IUPACN-[(2S)-3-methyl-1-oxobutan-2-yl]propanamide
SMILESCCC(=O)N[C@H](C=O)C(C)C
InChIInChI=1S/C8H15NO2/c1-4-8(11)9-7(5-10)6(2)3/h5-7H,4H2,1-3H3,(H,9,11)/t7-/m1/s1
InChIKeyUIYVCNNXYNLQSQ-SSDOTTSWSA-N
MW157.21 g/mol
LogP0.74
Rot. Bonds4

About N-[(2S)-3-methyl-1-oxobutan-2-yl]propanamide

N-[(2S)-3-methyl-1-oxobutan-2-yl]propanamide (PubChem CID 22819061) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-oxobutan-2-yl]propanamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-1-oxobutan-2-yl]propanamide
PubChem CID22819061
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-[(2S)-3-methyl-1-oxobutan-2-yl]propanamide
SMILESCCC(=O)N[C@H](C=O)C(C)C
InChIInChI=1S/C8H15NO2/c1-4-8(11)9-7(5-10)6(2)3/h5-7H,4H2,1-3H3,(H,9,11)/t7-/m1/s1
InChIKeyUIYVCNNXYNLQSQ-SSDOTTSWSA-N
XLogP0.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.74
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 N-[(2S)-3-methyl-1-oxobutan-2-yl]propanamide?
The IUPAC name of N-[(2S)-3-methyl-1-oxobutan-2-yl]propanamide (CID 22819061) is N-[(2S)-3-methyl-1-oxobutan-2-yl]propanamide.
What is the SMILES notation for N-[(2S)-3-methyl-1-oxobutan-2-yl]propanamide?
The canonical SMILES for N-[(2S)-3-methyl-1-oxobutan-2-yl]propanamide is CCC(=O)N[C@H](C=O)C(C)C.
What is the InChIKey of N-[(2S)-3-methyl-1-oxobutan-2-yl]propanamide?
The InChIKey is UIYVCNNXYNLQSQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-8(11)9-7(5-10)6(2)3/h5-7H,4H2,1-3H3,(H,9,11)/t7-/m1/s1.
What are the key properties of N-[(2S)-3-methyl-1-oxobutan-2-yl]propanamide?
N-[(2S)-3-methyl-1-oxobutan-2-yl]propanamide has a molecular weight of 157.21 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-1-oxobutan-2-yl]propanamide is sourced from PubChem (CID 22819061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).