(2S)-4-methyl-2-(methylamino)-N-(2-oxoethyl)pentanamide

C9H18N2O2 — CID 155260422

IUPAC(2S)-4-methyl-2-(methylamino)-N-(2-oxoethyl)pentanamide
SMILESCN[C@@H](CC(C)C)C(=O)NCC=O
InChIInChI=1S/C9H18N2O2/c1-7(2)6-8(10-3)9(13)11-4-5-12/h5,7-8,10H,4,6H2,1-3H3,(H,11,13)/t8-/m0/s1
InChIKeyRSHNOQXCJTVPKF-QMMMGPOBSA-N
MW186.25 g/mol
LogP-0.06
Rot. Bonds6

About (2S)-4-methyl-2-(methylamino)-N-(2-oxoethyl)pentanamide

(2S)-4-methyl-2-(methylamino)-N-(2-oxoethyl)pentanamide (PubChem CID 155260422) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2S)-4-methyl-2-(methylamino)-N-(2-oxoethyl)pentanamide.

Molecular Properties

Compound Name(2S)-4-methyl-2-(methylamino)-N-(2-oxoethyl)pentanamide
PubChem CID155260422
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(2S)-4-methyl-2-(methylamino)-N-(2-oxoethyl)pentanamide
SMILESCN[C@@H](CC(C)C)C(=O)NCC=O
InChIInChI=1S/C9H18N2O2/c1-7(2)6-8(10-3)9(13)11-4-5-12/h5,7-8,10H,4,6H2,1-3H3,(H,11,13)/t8-/m0/s1
InChIKeyRSHNOQXCJTVPKF-QMMMGPOBSA-N
XLogP-0.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.06
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

N-ethyl-4-methyl-2-(methylamino)pentanamide
CID 155260519
(2S)-2-[(2-aminoacetyl)amino]-4-methyl-N-(2-oxoethyl)pentanamide
CID 91405753
N,4-dimethyl-2-(methylamino)pentanamide
CID 72516454
2-methyl-4-oxo-N-(2-oxoethyl)butanamide
CID 138599204
(2S)-4-methyl-2-(methylamino)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pentanamide
CID 146517704
(2S)-N-cyclopropyl-4-methyl-2-(methylamino)pentanamide
CID 163408446
(2R)-4-methyl-2-(methylamino)pentanamide
CID 89050865
2-(dimethylamino)-N-(2-oxoethyl)propanamide
CID 21254696
(2S)-N-formyl-N,4-dimethyl-2-(methylamino)pentanamide
CID 135143266
4-methyl-2-[2-(methylamino)butanoylamino]-N-propylpentanamide
CID 166698451
3-methyl-2-[[4-methyl-2-(methylamino)pentanoyl]amino]butanoic acid
CID 118551241
(2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide
CID 163408456

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-(methylamino)-N-(2-oxoethyl)pentanamide?
The IUPAC name of (2S)-4-methyl-2-(methylamino)-N-(2-oxoethyl)pentanamide (CID 155260422) is (2S)-4-methyl-2-(methylamino)-N-(2-oxoethyl)pentanamide.
What is the SMILES notation for (2S)-4-methyl-2-(methylamino)-N-(2-oxoethyl)pentanamide?
The canonical SMILES for (2S)-4-methyl-2-(methylamino)-N-(2-oxoethyl)pentanamide is CN[C@@H](CC(C)C)C(=O)NCC=O.
What is the InChIKey of (2S)-4-methyl-2-(methylamino)-N-(2-oxoethyl)pentanamide?
The InChIKey is RSHNOQXCJTVPKF-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(2)6-8(10-3)9(13)11-4-5-12/h5,7-8,10H,4,6H2,1-3H3,(H,11,13)/t8-/m0/s1.
What are the key properties of (2S)-4-methyl-2-(methylamino)-N-(2-oxoethyl)pentanamide?
(2S)-4-methyl-2-(methylamino)-N-(2-oxoethyl)pentanamide has a molecular weight of 186.25 g/mol, XLogP of -0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-(methylamino)-N-(2-oxoethyl)pentanamide is sourced from PubChem (CID 155260422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).