N'-[(2R)-butan-2-yl]oxamide

C6H12N2O2 — CID 124605597

IUPACN'-[(2R)-butan-2-yl]oxamide
SMILESCC[C@@H](C)NC(=O)C(N)=O
InChIInChI=1S/C6H12N2O2/c1-3-4(2)8-6(10)5(7)9/h4H,3H2,1-2H3,(H2,7,9)(H,8,10)/t4-/m1/s1
InChIKeyIMSJKEMHTWTFPY-SCSAIBSYSA-N
MW144.17 g/mol
LogP-0.61
Rot. Bonds2

About N'-[(2R)-butan-2-yl]oxamide

N'-[(2R)-butan-2-yl]oxamide (PubChem CID 124605597) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is N'-[(2R)-butan-2-yl]oxamide.

Molecular Properties

Compound NameN'-[(2R)-butan-2-yl]oxamide
PubChem CID124605597
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC NameN'-[(2R)-butan-2-yl]oxamide
SMILESCC[C@@H](C)NC(=O)C(N)=O
InChIInChI=1S/C6H12N2O2/c1-3-4(2)8-6(10)5(7)9/h4H,3H2,1-2H3,(H2,7,9)(H,8,10)/t4-/m1/s1
InChIKeyIMSJKEMHTWTFPY-SCSAIBSYSA-N
XLogP-0.61
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[(2R)-butan-2-yl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

calcium;N-butan-2-ylcarbamothioate;carbamothioate
CID 118002354
(2R,3R)-2-amino-N-[(2S)-butan-2-yl]-3-methylpentanamide
CID 93001596
N-butan-2-ylcarbamoyl iodide
CID 118554163
N'-(1-chloroethyl)oxamide
CID 175433952
N-[(2R)-butan-2-yl]-2-methylbutanamide
CID 88542995
3-(butan-2-ylamino)-2-oxo-3-(sulfanylamino)propanamide
CID 143362206
N'-butan-2-yl-N-(4-carbamoylphenyl)oxamide
CID 45001357
3-amino-N-[(2S)-butan-2-yl]butanamide
CID 142118681
3-amino-N-butan-2-ylpropanamide
CID 16784988
2-(4-acetylpiperazin-1-yl)-N-butan-2-yl-2-oxoacetamide
CID 108505389
N'-butan-2-yl-N-(3-hydroxypropyl)oxamide
CID 2914177
(2R)-N-[(2S)-butan-2-yl]-2-chloropropanamide
CID 14711535

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-butan-2-yl]oxamide?
The IUPAC name of N'-[(2R)-butan-2-yl]oxamide (CID 124605597) is N'-[(2R)-butan-2-yl]oxamide.
What is the SMILES notation for N'-[(2R)-butan-2-yl]oxamide?
The canonical SMILES for N'-[(2R)-butan-2-yl]oxamide is CC[C@@H](C)NC(=O)C(N)=O.
What is the InChIKey of N'-[(2R)-butan-2-yl]oxamide?
The InChIKey is IMSJKEMHTWTFPY-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-3-4(2)8-6(10)5(7)9/h4H,3H2,1-2H3,(H2,7,9)(H,8,10)/t4-/m1/s1.
What are the key properties of N'-[(2R)-butan-2-yl]oxamide?
N'-[(2R)-butan-2-yl]oxamide has a molecular weight of 144.17 g/mol, XLogP of -0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-butan-2-yl]oxamide is sourced from PubChem (CID 124605597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).