(3R)-N'-methoxy-3-methylpentanediamide

C7H14N2O3 — CID 173105734

IUPAC(3R)-N'-methoxy-3-methylpentanediamide
SMILESCONC(=O)C[C@H](C)CC(N)=O
InChIInChI=1S/C7H14N2O3/c1-5(3-6(8)10)4-7(11)9-12-2/h5H,3-4H2,1-2H3,(H2,8,10)(H,9,11)/t5-/m1/s1
InChIKeyXTJUXNDZJVGEAV-RXMQYKEDSA-N
MW174.20 g/mol
LogP-0.43
Rot. Bonds5

About (3R)-N'-methoxy-3-methylpentanediamide

(3R)-N'-methoxy-3-methylpentanediamide (PubChem CID 173105734) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is (3R)-N'-methoxy-3-methylpentanediamide.

Molecular Properties

Compound Name(3R)-N'-methoxy-3-methylpentanediamide
PubChem CID173105734
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name(3R)-N'-methoxy-3-methylpentanediamide
SMILESCONC(=O)C[C@H](C)CC(N)=O
InChIInChI=1S/C7H14N2O3/c1-5(3-6(8)10)4-7(11)9-12-2/h5H,3-4H2,1-2H3,(H2,8,10)(H,9,11)/t5-/m1/s1
InChIKeyXTJUXNDZJVGEAV-RXMQYKEDSA-N
XLogP-0.43
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-5-hydrazinyl-3-methyl-5-oxopentanamide
CID 173105688
(3R)-5-amino-3-methyl-5-oxopentanoic acid
CID 55285544
(3R)-5-amino-3-methyl-5-sulfanylidenepentanamide
CID 173060911
ethane;4-hydroxy-3-methylbutanamide
CID 170602711
5-[(2-amino-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62966422
3-(3,5-dimethylphenyl)-N-methoxybutanamide
CID 144913572
3-methylbutanamide
CID 87933309
1,1'-biphenyl;N-methoxy-3-phenylbutanamide
CID 144913601
methyl 2-[[(2R)-4-amino-4-oxobutan-2-yl]amino]acetate
CID 124671422
N-methoxy-4-methylpent-4-enamide
CID 135084610
methyl (2R)-4-amino-2-(methylamino)-4-oxobutanoate
CID 174668747
CID 178036338
CID 178036338

Frequently Asked Questions

What is the IUPAC name of (3R)-N'-methoxy-3-methylpentanediamide?
The IUPAC name of (3R)-N'-methoxy-3-methylpentanediamide (CID 173105734) is (3R)-N'-methoxy-3-methylpentanediamide.
What is the SMILES notation for (3R)-N'-methoxy-3-methylpentanediamide?
The canonical SMILES for (3R)-N'-methoxy-3-methylpentanediamide is CONC(=O)C[C@H](C)CC(N)=O.
What is the InChIKey of (3R)-N'-methoxy-3-methylpentanediamide?
The InChIKey is XTJUXNDZJVGEAV-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-5(3-6(8)10)4-7(11)9-12-2/h5H,3-4H2,1-2H3,(H2,8,10)(H,9,11)/t5-/m1/s1.
What are the key properties of (3R)-N'-methoxy-3-methylpentanediamide?
(3R)-N'-methoxy-3-methylpentanediamide has a molecular weight of 174.20 g/mol, XLogP of -0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N'-methoxy-3-methylpentanediamide is sourced from PubChem (CID 173105734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).