(2S,4S)-2-ethyl-4-formamido-N-methyl-5-oxopentanamide

C9H16N2O3 — CID 166157030

IUPAC(2S,4S)-2-ethyl-4-formamido-N-methyl-5-oxopentanamide
SMILESCCC(C[C@@H](C=O)NC=O)C(=O)NC
InChIInChI=1S/C9H16N2O3/c1-3-7(9(14)10-2)4-8(5-12)11-6-13/h5-8H,3-4H2,1-2H3,(H,10,14)(H,11,13)/t7?,8-/m0/s1
InChIKeyVLMNOXAULRUXCR-MQWKRIRWSA-N
MW200.24 g/mol
LogP-0.54
Rot. Bonds7

About (2S,4S)-2-ethyl-4-formamido-N-methyl-5-oxopentanamide

(2S,4S)-2-ethyl-4-formamido-N-methyl-5-oxopentanamide (PubChem CID 166157030) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is (2S,4S)-2-ethyl-4-formamido-N-methyl-5-oxopentanamide.

Molecular Properties

Compound Name(2S,4S)-2-ethyl-4-formamido-N-methyl-5-oxopentanamide
PubChem CID166157030
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name(2S,4S)-2-ethyl-4-formamido-N-methyl-5-oxopentanamide
SMILESCCC(C[C@@H](C=O)NC=O)C(=O)NC
InChIInChI=1S/C9H16N2O3/c1-3-7(9(14)10-2)4-8(5-12)11-6-13/h5-8H,3-4H2,1-2H3,(H,10,14)(H,11,13)/t7?,8-/m0/s1
InChIKeyVLMNOXAULRUXCR-MQWKRIRWSA-N
XLogP-0.54
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-methyl-5-oxopentanamide
CID 145371597
2-(hydroxymethyl)-N-methylbutanamide
CID 58973980
2-ethyl-N-methylpentanamide
CID 55287466
2-ethyl-N-methylpentanamide;molecular hydrogen
CID 142188922
2-ethyl-N-methylbutanediamide
CID 89267144
2-ethyl-N,4,4-trimethylpentanamide;propane
CID 144536587
CID 171639060
CID 171639060
2-ethyl-N-methyltetradecanamide
CID 161072731
N-(4-methyl-1-oxodecan-2-yl)formamide
CID 166695285
2-(aminomethyl)-N,4-dimethylhexanamide
CID 62313426
N-[(2S)-1,4-dioxobutan-2-yl]formamide
CID 173345036
2,4-diethyl-N,N'-bis(2-hydroxyethyl)pentanediamide
CID 89382357

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-ethyl-4-formamido-N-methyl-5-oxopentanamide?
The IUPAC name of (2S,4S)-2-ethyl-4-formamido-N-methyl-5-oxopentanamide (CID 166157030) is (2S,4S)-2-ethyl-4-formamido-N-methyl-5-oxopentanamide.
What is the SMILES notation for (2S,4S)-2-ethyl-4-formamido-N-methyl-5-oxopentanamide?
The canonical SMILES for (2S,4S)-2-ethyl-4-formamido-N-methyl-5-oxopentanamide is CCC(C[C@@H](C=O)NC=O)C(=O)NC.
What is the InChIKey of (2S,4S)-2-ethyl-4-formamido-N-methyl-5-oxopentanamide?
The InChIKey is VLMNOXAULRUXCR-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-3-7(9(14)10-2)4-8(5-12)11-6-13/h5-8H,3-4H2,1-2H3,(H,10,14)(H,11,13)/t7?,8-/m0/s1.
What are the key properties of (2S,4S)-2-ethyl-4-formamido-N-methyl-5-oxopentanamide?
(2S,4S)-2-ethyl-4-formamido-N-methyl-5-oxopentanamide has a molecular weight of 200.24 g/mol, XLogP of -0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-ethyl-4-formamido-N-methyl-5-oxopentanamide is sourced from PubChem (CID 166157030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).